Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

2,4(1H,3H)-Pyrimidinedione,5-methyl-1-[4-[(7-oxo-7H-furo[3,2-g][1]benzopyran-9-yl)oxy]butyl]-

Related Products

Hot Products

Basic Information Post buying leads Suppliers
Name

2,4(1H,3H)-Pyrimidinedione,5-methyl-1-[4-[(7-oxo-7H-furo[3,2-g][1]benzopyran-9-yl)oxy]butyl]-

EINECS N/A
CAS No. 78497-53-7 Density 1.358 g/cm3
PSA 107.70000 LogP 2.96910
Solubility N/A Melting Point N/A
Formula C20H18N2O6 Boiling Point N/A
Molecular Weight 382.373 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 78497-53-7 (2,4(1H,3H)-Pyrimidinedione, 5-methyl-1-(4-((7-oxo-7H-furo(3,2-g)(1)ben zopyran-9-yl)oxy)butyl)-) Hazard Symbols N/A
Synonyms

7H-Furo[3,2-g][1]benzopyran, 2,4(1H,3H)-pyrimidinedionederiv.;9-(1-Thyminylbutoxy)psoralen;

 

2,4(1H,3H)-Pyrimidinedione,5-methyl-1-[4-[(7-oxo-7H-furo[3,2-g][1]benzopyran-9-yl)oxy]butyl]- Specification

The 2,4(1H,3H)-Pyrimidinedione,5-methyl-1-[4-[(7-oxo-7H-furo[3,2-g][1]benzopyran-9-yl)oxy]butyl]-, with the CAS registry number 78497-53-7, is also known as 5-Methyl-1-{4-[(7-oxo-7H-furo[3,2-g]chromen-9-yl)oxy]butyl}pyrimidine-2,4(1H,3H)-dione. This chemical's molecular formula is C20H18N2O6 and molecular weight is 382.3667. What's more, its IUPAC name is called 5-Methyl-1-[4-(7-oxofuro[3,2-g]chromen-9-yl)oxybutyl]pyrimidine-2,4-dione.

Physical properties about 2,4(1H,3H)-Pyrimidinedione,5-methyl-1-[4-[(7-oxo-7H-furo[3,2-g][1]benzopyran-9-yl)oxy]butyl]- are: (1)ACD/LogP: 1.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.82; (4)ACD/LogD (pH 7.4): 1.82; (5)ACD/BCF (pH 5.5): 14.3; (6)ACD/BCF (pH 7.4): 14.26; (7)ACD/KOC (pH 5.5): 233.65; (8)ACD/KOC (pH 7.4): 233.09; (9)#H bond acceptors: 8; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 89.29 Å2; (13)Index of Refraction: 1.616; (14)Molar Refractivity: 98.42 cm3; (15)Molar Volume: 281.3 cm3; (16)Surface Tension: 54.4 dyne/cm; (17)Density: 1.358 g/cm3.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1\C(=C/N(C(=O)N1)CCCCOc4c2OC(=O)/C=C\c2cc3c4occ3)C
(2) InChI: InChI=1/C20H18N2O6/c1-12-11-22(20(25)21-19(12)24)7-2-3-8-26-18-16-14(6-9-27-16)10-13-4-5-15(23)28-17(13)18/h4-6,9-11H,2-3,7-8H2,1H3,(H,21,24,25)
(3) InChIKey: WGQVRFZCBOMMDQ-UHFFFAOYAT

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 78497-53-7