2'-Acetyltaxol
TL;DR: 2'-Acetyltaxol (CAS 98873-77-9) is a chemical compound with molecular formula C49H53NO15 and molecular weight 895.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-2-acetyloxy-3-benzamido-3-phenylpropanoyl]oxy-1,9-dihydroxy-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: 2'-Acetyltaxol, Taxol 2'-acetate, 2a(2)-Acetyltaxol, Taxol 2 -acetate, 2 -Acetyl-epi-taxol
| Molecular Formula | C49H53NO15 |
|---|---|
| Molecular Weight | 895.34 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 227.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 16 |
| Exact Mass | 895.3415 |
| Heavy Atoms | 65 |
| Complexity | 1910.0 |
Chemical Identifiers
| CAS Number | 98873-77-9 |
|---|---|
| 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)C6=CC=CC=C6)OC(=O)C)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C |
| InChIKey | IHVCSECZNFZVKP-XOVTVWCYSA-N |
Product Overview
2'-Acetyltaxol (CAS 98873-77-9), with molecular formula C49H53NO15 and molecular weight 895.34 g/mol. IUPAC: [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-2-acetyloxy-3-benzamido-3-phenylpropanoyl]oxy-1,9-dihydroxy-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 2'-Acetyltaxol
Property Insights of 2'-Acetyltaxol
The XLogP value of 3.1 indicates that 2'-Acetyltaxol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 227.0 Ų indicates high polarity, suggesting 2'-Acetyltaxol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2'-Acetyltaxol has 3 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2'-Acetyltaxol?
The CAS number of 2'-Acetyltaxol is 98873-77-9.
What is the molecular formula of 2'-Acetyltaxol?
The molecular formula of 2'-Acetyltaxol is C49H53NO15.
What is the molecular weight of 2'-Acetyltaxol?
The molecular weight of 2'-Acetyltaxol is 895.34 g/mol.
Where can I buy 2'-Acetyltaxol?
You can request a quote for 2'-Acetyltaxol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'-Acetyltaxol?
Yes, KEHONG BIO provides custom synthesis services for 2'-Acetyltaxol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.