10-Deacetyltaxol
TL;DR: 10-Deacetyltaxol (CAS 111149-94-1) 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.
[4-acetyloxy-15-(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, 7-Epi-10-deacetyltaxol, 10-Desacetyl Paclitaxel, Ormosin VI [M+H]+
| Molecular Formula | C45H49NO13 |
|---|---|
| Molecular Weight | 811.32 g/mol |
| LogP | 3.1649 |
| Topological Polar Surface Area | 215.22 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 9 |
| Exact Mass | 811.3204 |
| Heavy Atoms | 59 |
| Complexity | 2159.103 |
Chemical Identifiers
| CAS Number | 111149-94-1 |
|---|---|
| SMILES | CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(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 |
Product Overview
10-Deacetyltaxol (CAS 111149-94-1), with molecular formula C45H49NO13 and molecular weight 811.32 g/mol. IUPAC: [4-acetyloxy-15-(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 3.1649 indicates that 10-Deacetyltaxol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 215.22 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 111149-94-1.
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.