Taxine A
TL;DR: Taxine A (CAS 1361-49-5) is a chemical compound with molecular formula C35H47NO10 and molecular weight 641.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,13-diacetyloxy-7,10-dihydroxy-8,12,15,15-tetramethyl-9-oxo-5-tricyclo[9.3.1.14,8]hexadeca-3,11-dienyl) 3-(dimethylamino)-2-hydroxy-3-phenylpropanoate
Also Known As: Taxine A, TAXINE, Benzenepropanoic acid, beta-(dimethylamino)-alpha-hydroxy-, 2,13-bis(acetyloxy)-7,10-dihydroxy-8,12,15,15-tetramethyl-9-oxotricyclo(9.3.1.1(4,8))hexadeca-3,11-dien-5-yl ester, (1S-(1R*,2S*,3E,5R*-(alphaS*,betaR*),7R*,8R*,10S*,13R*))-
| Molecular Formula | C35H47NO10 |
|---|---|
| Molecular Weight | 641.32 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 160.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 641.32 |
| Heavy Atoms | 46 |
| Complexity | 1260.0 |
Chemical Identifiers
| CAS Number | 1361-49-5 |
|---|---|
| SMILES | CC1=C2C(C(=O)C3(CC(=CC(C(C2(C)C)CC1OC(=O)C)OC(=O)C)C(CC3O)OC(=O)C(C(C4=CC=CC=C4)N(C)C)O)C)O |
| InChIKey | KOTXAHKUCAQPQA-UHFFFAOYSA-N |
Product Overview
Taxine A (CAS 1361-49-5), with molecular formula C35H47NO10 and molecular weight 641.32 g/mol. IUPAC: (2,13-diacetyloxy-7,10-dihydroxy-8,12,15,15-tetramethyl-9-oxo-5-tricyclo[9.3.1.14,8]hexadeca-3,11-dienyl) 3-(dimethylamino)-2-hydroxy-3-phenylpropanoate.
Chemical Property Profile of Taxine A
Property Insights of Taxine A
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Taxine A. The TPSA of 160.0 Ų indicates high polarity, suggesting Taxine A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Taxine A has 3 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Taxine A?
The CAS number of Taxine A is 1361-49-5.
What is the molecular formula of Taxine A?
The molecular formula of Taxine A is C35H47NO10.
What is the molecular weight of Taxine A?
The molecular weight of Taxine A is 641.32 g/mol.
Where can I buy Taxine A?
You can request a quote for Taxine A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Taxine A?
Yes, KEHONG BIO provides custom synthesis services for Taxine A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.