Welcome to LookChem.com Sign In|Join Free

Products

  • or
Home > Pharmaceutical > 40695 > 

40695-33-8
Refine

Refine

Country

Business Type

Certificate

Display

Products Categories

Basic Information
CAS No.: 40695-33-8
Name: rel-[1,1'-Biphenyl]-4-carboxylic acid (3aR,4R,5R,6aS)-hexahydro-2-oxo-4-[(1E)-3-oxo-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]-2H-cyclopenta[b]furan-5-yl ester
Article Data: 10
Molecular Structure:
Molecular Structure of 40695-33-8 (rel-[1,1'-Biphenyl]-4-carboxylic acid (3aR,4R,5R,6aS)-hexahydro-2-oxo-4-[(1E)-3-oxo-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]-2H-cyclopenta[b]furan-5-yl ester)
Formula: C31H25F3O6
Molecular Weight: 550.531
Synonyms: [1,1'-Biphenyl]-4-carboxylicacid,hexahydro-2-oxo-4-[3-oxo-4-[3-(trifluoromethyl)phenoxy]-1-butenyl]-2H-cyclopenta[b]furan-5-ylester, [3aa,4a(E),5b,6aa]- (9CI);[1,1'-Biphenyl]-4-carboxylic acid,hexahydro-2-oxo-4-[3-oxo-4-[3-(trifluoromethyl)phenoxy]-1-butenyl]-2H-cyclopenta[b]furan-5-ylester, [3aa,4a(E),5b,6aa]-(?à)-;rel-[1,1'-Biphenyl]-4-carboxylic acid (3aR,4R,5R,6aS)-hexahydro-2-oxo-4-[(1E)-3-oxo-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]-2H-cyclopenta[b]furan-5-yl ester;Biphenyl-4-carboxylic acid 2-oxo-4-[3-oxo-4-(3-trifluoromethyl-phenoxy)-but-1-enyl]-hexahydro-cyclopenta[b]furan-5-yl ester;
Density: 1.371 g/cm3
Melting Point: 128-129 °C
Boiling Point: 699.684 °C at 760 mmHg
Flash Point: 362.651 °C
PSA: 78.90000
LogP: 6.05370
Related products
Hot Products
  • Display:default sort

    New supplier

  • Total:20 Page 1 of 1 1
Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 40695-33-8

Specification

The systematic name of rel-[1,1'-Biphenyl]-4-carboxylic acid (3aR,4R,5R,6aS)-hexahydro-2-oxo-4-[(1E)-3-oxo-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]-2H-cyclopenta[b]furan-5-yl ester is [(3aS,4S,5S,6aR)-2-oxo-4-[(E)-3-oxo-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] 4-phenylbenzoate. With the CAS registry number 40695-33-8, it is also named as Biphenyl-4-carboxylic acid 2-oxo-4-[3-oxo-4-(3-trifluoromethyl-phenoxy)-but-1-enyl]-hexahydro-cyclopenta[b]furan-5-yl ester. In addition, its molecular formula is C31H25F3O6 and molecular weight is 550.52.

The other characteristics of rel-[1,1'-Biphenyl]-4-carboxylic acid (3aR,4R,5R,6aS)-hexahydro-2-oxo-4-[(1E)-3-oxo-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]-2H-cyclopenta[b]furan-5-yl ester can be summarized as: (1)ACD/LogP: 5.34; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 5.336; (4)ACD/LogD (pH 7.4): 5.336; (5)ACD/BCF (pH 5.5): 6691.646; (6)ACD/BCF (pH 7.4): 6691.646; (7)ACD/KOC (pH 5.5): 19050.559; (8)ACD/KOC (pH 7.4): 19050.559; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 78.9 Å2; (13)Index of Refraction: 1.604; (14)Molar Refractivity: 138.038 cm3; (15)Molar Volume: 401.562 cm3; (16)Polarizability: 54.723×10-24cm3; (17)Surface Tension: 54.16 dyne/cm; (18)Density: 1.371 g/cm3; (19)Flash Point: 362.651 °C; (20)Melting point: 128-129 °C; (21)Enthalpy of Vaporization: 102.432 kJ/mol; (22)Boiling Point: 699.684 °C at 760 mmHg; (23)Vapour Pressure: 0 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: c1ccc(cc1)c2ccc(cc2)C(=O)O[C@H]3C[C@@H]4[C@H]([C@@H]3/C=C/C(=O)COc5cccc(c5)C(F)(F)F)CC(=O)O4
(2)InChI: InChI=1/C31H25F3O6/c32-31(33,34)22-7-4-8-24(15-22)38-18-23(35)13-14-25-26-16-29(36)39-28(26)17-27(25)40-30(37)21-11-9-20(10-12-21)19-5-2-1-3-6-19/h1-15,25-28H,16-18H2/b14-13+/t25-,26-,27-,28+/m0/s1
(3)InChIKey: FLEHAOYBYPJWKG-LUMRMNOEBN
(4)Std. InChI: InChI=1S/C31H25F3O6/c32-31(33,34)22-7-4-8-24(15-22)38-18-23(35)13-14-25-26-16-29(36)39-28(26)17-27(25)40-30(37)21-11-9-20(10-12-21)19-5-2-1-3-6-19/h1-15,25-28H,16-18H2/b14-13+/t25-,26-,27-,28+/m0/s1
(5)Std. InChIKey: FLEHAOYBYPJWKG-LUMRMNOESA-N