Taxol 7,2'-diacetate
TL;DR: Taxol 7,2'-diacetate (CAS 81924-74-5) is a chemical compound with molecular formula C51H55NO16 and molecular weight 937.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2S,3R,4S,9S,10S,12R,15S)-4,9,12-triacetyloxy-15-[(2R,3S)-2-acetyloxy-3-benzamido-3-phenylpropanoyl]oxy-1-hydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
Also Known As: Taxol 7,2'-diacetate, TAXOL,2'-DIACETATE,, ACETYLTAXOL, 2',7-BIS-, ACETYLTAXOL,2,7-BIS-(RG), [(1S,2S,3R,4S,9S,10S,12R,15S)-4,9,12-triacetyloxy-15-[(2R,3S)-2-acetyloxy-3-benzamido-3-phenylpropanoyl]oxy-1-hydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
| Molecular Formula | C51H55NO16 |
|---|---|
| Molecular Weight | 937.35 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 233.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 18 |
| Exact Mass | 937.3521 |
| Heavy Atoms | 68 |
| Complexity | 2030.0 |
Chemical Identifiers
| CAS Number | 81924-74-5 |
|---|---|
| SMILES | CC1=C2[C@H](C(=O)[C@@]3([C@H](CC4[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)C6=CC=CC=C6)OC(=O)C)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)OC(=O)C)C)OC(=O)C |
| InChIKey | WQUSBTYBTBXULJ-DMKBNJKNSA-N |
Product Overview
Taxol 7,2'-diacetate (CAS 81924-74-5), with molecular formula C51H55NO16 and molecular weight 937.35 g/mol. IUPAC: [(1S,2S,3R,4S,9S,10S,12R,15S)-4,9,12-triacetyloxy-15-[(2R,3S)-2-acetyloxy-3-benzamido-3-phenylpropanoyl]oxy-1-hydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate.
Chemical Property Profile of Taxol 7,2'-diacetate
Property Insights of Taxol 7,2'-diacetate
The XLogP value of 3.6 indicates that Taxol 7,2'-diacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 233.0 Ų indicates high polarity, suggesting Taxol 7,2'-diacetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Taxol 7,2'-diacetate has 2 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Taxol 7,2'-diacetate?
The CAS number of Taxol 7,2'-diacetate is 81924-74-5.
What is the molecular formula of Taxol 7,2'-diacetate?
The molecular formula of Taxol 7,2'-diacetate is C51H55NO16.
What is the molecular weight of Taxol 7,2'-diacetate?
The molecular weight of Taxol 7,2'-diacetate is 937.35 g/mol.
Where can I buy Taxol 7,2'-diacetate?
You can request a quote for Taxol 7,2'-diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Taxol 7,2'-diacetate?
Yes, KEHONG BIO provides custom synthesis services for Taxol 7,2'-diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.