Docetaxal

Base Information Edit

Chemical Name:Docetaxal
CAS No.:125354-16-7
Molecular Formula:C45H55NO15
Molecular Weight:849.929
Hs Code.:2932999099
DSSTox Substance ID:DTXSID20925105
Nikkaji Number:J616.541I
Wikidata:Q72470267
Metabolomics Workbench ID:130104
ChEMBL ID:CHEMBL302290
Mol file:125354-16-7.mol

Synonyms:Docetaxal;125354-16-7;10-Acetyl Docetaxel;N-Debenzoyl-N-(tert-butoxycarbonyl)taxol;[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-1,9-dihydroxy-15-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;CHEMBL302290;10-AcetyltaxotereNU 101383;SCHEMBL14574437;LEMYAXKYCOBYOJ-OAGWZNDDSA-;DTXSID20925105;HY-B0018;FS-9815;PD163986;CS-0002386;F20717;4,10-Bis(acetyloxy)-13-[(3-{[tert-butoxy(hydroxy)methylidene]amino}-2-hydroxy-3-phenylpropanoyl)oxy]-1,7-dihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate

Suppliers and Price of Docetaxal

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Usbiological
Docetaxal
5mg
$ 460.00

TRC
Docetaxal
100mg
$ 120.00

TRC
Docetaxal
1g
$ 580.00

Medical Isotopes, Inc.
Docetaxal
5 mg
$ 650.00

Medical Isotopes, Inc.
Docetaxal
50 mg
$ 2200.00

Crysdot
Docetaxal 95+%
10g
$ 1570.00

Crysdot
Docetaxal 95+%
5g
$ 1045.00

Crysdot
Docetaxal 95+%
1g
$ 520.00

Crysdot
Docetaxal 95+%
25g
$ 2620.00

Biosynth Carbosynth
10-Acetyl docetaxel
50 mg
$ 1800.00

Total 98 raw suppliers

Chemical Property of Docetaxal Edit

Chemical Property:

Vapor Pressure:5.54E-35mmHg at 25°C
Melting Point:201-203 °C(Solv: methanol (67-56-1))
Refractive Index:1.605
Boiling Point:901.4 °C at 760 mmHg
PKA:11.20±0.46(Predicted)
Flash Point:499 °C
PSA：230.52000
Density:1.36 g/cm³
LogP:4.22130
Storage Temp.:2-8°C
Solubility.:Chloroform (Slightly), Methanol (Slightly)
XLogP3:2.2
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:15
Exact Mass:849.35717005
Heavy Atom Count:61
Complexity:1770

Purity/Quality:

98%,99%, ^*data from raw suppliers

Docetaxal ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)OC(=O)C
Isomeric SMILES:CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)OC(=O)C
Uses Docetaxal is an impurity of Docetaxel (D494420), a semisynthetic derivative of Paclitaxel (P132500). Docetaxel is an antimitotic agent that promotes the assembly of micro-tubules and inhibits their de -polymerization to free tubulin. Docetaxal (Docetaxel EP Impurity G) is an impurity of Docetaxel (D494420), a semisynthetic derivative of Paclitaxel (P132500). Docetaxel is an antimitotic agent that promotes the assembly of micro-tubules and inhibits their de-polymerization to free tubulin.

Technology Process of Docetaxal

There total 40 articles about Docetaxal which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 94.0%