紫杉鹼
TL;DR: 紫杉鹼 (CAS 12607-93-1) 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.
紫杉鹼
[(2S,3E,5S,7S,8S,10R,13S)-2,13-diacetyloxy-7,10-dihydroxy-8,12,15,15-tetramethyl-9-oxo-5-tricyclo[9.3.1.14,8]hexadeca-3,11-dienyl] (2R,3S)-3-(dimethylamino)-2-hydroxy-3-phenylpropanoate
Also Known As: TAXINE, Taxin, Taxin [German], Taxine A, EINECS 235-716-4
| Molecular Formula | C35H47NO10 |
|---|---|
| Molecular Weight | 641.32 g/mol |
| LogP | 2.819 |
| Topological Polar Surface Area | 159.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 641.32 |
| Heavy Atoms | 46 |
| Complexity | 1415.3074 |
Chemical Identifiers
| CAS Number | 12607-93-1 |
|---|---|
| SMILES | CC1=C2[C@H](C(=O)[C@]3(C/C(=C\[C@@H](C(C2(C)C)C[C@@H]1OC(=O)C)OC(=O)C)/[C@H](C[C@@H]3O)OC(=O)[C@@H]([C@H](C4=CC=CC=C4)N(C)C)O)C)O |
Product Overview
紫杉鹼 (CAS 12607-93-1), with molecular formula C35H47NO10 and molecular weight 641.32 g/mol. IUPAC: [(2S,3E,5S,7S,8S,10R,13S)-2,13-diacetyloxy-7,10-dihydroxy-8,12,15,15-tetramethyl-9-oxo-5-tricyclo[9.3.1.14,8]hexadeca-3,11-dienyl] (2R,3S)-3-(dimethylamino)-2-hydroxy-3-phenylpropanoate.
Chemical Property Profile of 紫杉鹼
Property Insights of 紫杉鹼
The XLogP value of 2.819 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 紫杉鹼. The TPSA of 159.9 Ų indicates high polarity, suggesting 紫杉鹼 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 紫杉鹼 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 紫杉鹼?
The CAS number of 紫杉鹼 is 12607-93-1.
What is the molecular formula of 紫杉鹼?
The molecular formula of 紫杉鹼 is C35H47NO10.
What is the molecular weight of 紫杉鹼?
The molecular weight of 紫杉鹼 is 641.32 g/mol.
Where can I buy 紫杉鹼?
You can request a quote for 紫杉鹼 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 紫杉鹼?
Yes, KEHONG BIO provides custom synthesis services for 紫杉鹼 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.