10-deacetylbaccatin III
TL;DR: 10-deacetylbaccatin III (CAS 92999-93-4) is a chemical compound with molecular formula C29H36O10 and molecular weight 544.23 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-1,9,12,15-tetrahydroxy-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-Deacetylbaccatin III, 10-Deacetylbaccatin, zoate, 10-deacetylbacctin, 10-Deacetyl baccatin III
| Molecular Formula | C29H36O10 |
|---|---|
| Molecular Weight | 544.23 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 160.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 544.23083 |
| Heavy Atoms | 39 |
| Complexity | 1090.0 |
Chemical Identifiers
| CAS Number | 92999-93-4 |
|---|---|
| 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]1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)O |
| InChIKey | YWLXLRUDGLRYDR-ZHPRIASZSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
10-deacetylbaccatin III (CAS 92999-93-4), with molecular formula C29H36O10 and molecular weight 544.23 g/mol. IUPAC: [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,9,12,15-tetrahydroxy-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-deacetylbaccatin III
Property Insights of 10-deacetylbaccatin III
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 10-deacetylbaccatin III. The TPSA of 160.0 Ų indicates high polarity, suggesting 10-deacetylbaccatin III may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 10-deacetylbaccatin III has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 10-deacetylbaccatin III?
The CAS number of 10-deacetylbaccatin III is 92999-93-4.
What is the molecular formula of 10-deacetylbaccatin III?
The molecular formula of 10-deacetylbaccatin III is C29H36O10.
What is the molecular weight of 10-deacetylbaccatin III?
The molecular weight of 10-deacetylbaccatin III is 544.23 g/mol.
Where can I buy 10-deacetylbaccatin III?
You can request a quote for 10-deacetylbaccatin III directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10-deacetylbaccatin III?
Yes, KEHONG BIO provides custom synthesis services for 10-deacetylbaccatin III and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.