Taxine B
TL;DR: Taxine B (CAS 1361-51-9) is a chemical compound with molecular formula C33H45NO8 and molecular weight 583.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(10-acetyloxy-1,2,9-trihydroxy-8,12,15,15-tetramethyl-4-methylidene-13-oxo-5-tricyclo[9.3.1.03,8]pentadec-11-enyl) 3-(dimethylamino)-3-phenylpropanoate
Also Known As: Taxine B, Taxin B [German], Taxin B, (10-acetyloxy-1,2,9-trihydroxy-8,12,15,15-tetramethyl-4-methylidene-13-oxo-5-tricyclo[9.3.1.03,8]pentadec-11-enyl) 3-(dimethylamino)-3-phenylpropanoate, 10-(acetyloxy)-1,2,9-trihydroxy-13-oxotaxa-4(20),11-dien-5-yl 3-(dimethylamino)-3-phenylpropanoate
| Molecular Formula | C33H45NO8 |
|---|---|
| Molecular Weight | 583.31 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 583.3145 |
| Heavy Atoms | 42 |
| Complexity | 1140.0 |
Chemical Identifiers
| CAS Number | 1361-51-9 |
|---|---|
| SMILES | CC1=C2C(C(C3(CCC(C(=C)C3C(C(C2(C)C)(CC1=O)O)O)OC(=O)CC(C4=CC=CC=C4)N(C)C)C)O)OC(=O)C |
| InChIKey | XMZFIBDTPOUHMW-UHFFFAOYSA-N |
Product Overview
Taxine B (CAS 1361-51-9), with molecular formula C33H45NO8 and molecular weight 583.31 g/mol. IUPAC: (10-acetyloxy-1,2,9-trihydroxy-8,12,15,15-tetramethyl-4-methylidene-13-oxo-5-tricyclo[9.3.1.03,8]pentadec-11-enyl) 3-(dimethylamino)-3-phenylpropanoate.
Chemical Property Profile of Taxine B
Property Insights of Taxine B
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Taxine B. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Taxine B. Following Lipinski's Rule of Five, Taxine B has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Taxine B?
The CAS number of Taxine B is 1361-51-9.
What is the molecular formula of Taxine B?
The molecular formula of Taxine B is C33H45NO8.
What is the molecular weight of Taxine B?
The molecular weight of Taxine B is 583.31 g/mol.
Where can I buy Taxine B?
You can request a quote for Taxine B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Taxine B?
Yes, KEHONG BIO provides custom synthesis services for Taxine B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.