10-Deacetyltaxol
TL;DR: 10-Deacetyltaxol (CAS 78454-17-8) is a chemical compound with molecular formula C45H49NO13 and molecular weight 811.32 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-acetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9,12-trihydroxy-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: 10-Deacetyltaxol, DEACETYLTAXOL, 10-Deacetylpaclitaxel, 10-Desacetyl Paclitaxel, 10-Desacetyltaxol
| Molecular Formula | C45H49NO13 |
|---|---|
| Molecular Weight | 811.32 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 215.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 12 |
| Exact Mass | 811.3204 |
| Heavy Atoms | 59 |
| Complexity | 1680.0 |
Chemical Identifiers
| CAS Number | 78454-17-8 |
|---|---|
| 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)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)O |
| InChIKey | TYLVGQKNNUHXIP-MHHARFCSSA-N |
Product Overview
10-Deacetyltaxol (CAS 78454-17-8), with molecular formula C45H49NO13 and molecular weight 811.32 g/mol. IUPAC: [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9,12-trihydroxy-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 10-Deacetyltaxol
Property Insights of 10-Deacetyltaxol
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 10-Deacetyltaxol. The TPSA of 215.0 Ų indicates high polarity, suggesting 10-Deacetyltaxol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 10-Deacetyltaxol has 5 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 10-Deacetyltaxol?
The CAS number of 10-Deacetyltaxol is 78454-17-8.
What is the molecular formula of 10-Deacetyltaxol?
The molecular formula of 10-Deacetyltaxol is C45H49NO13.
What is the molecular weight of 10-Deacetyltaxol?
The molecular weight of 10-Deacetyltaxol is 811.32 g/mol.
Where can I buy 10-Deacetyltaxol?
You can request a quote for 10-Deacetyltaxol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10-Deacetyltaxol?
Yes, KEHONG BIO provides custom synthesis services for 10-Deacetyltaxol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.