Baccatin V
TL;DR: Baccatin V (CAS 31077-81-3) is a chemical compound with molecular formula C31H38O11 and molecular weight 586.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2S,3R,4S,7R,9R,10S,12R,15S)-4,12-diacetyloxy-1,9,15-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: Baccatin V, 7-epi-Baccatin III, Paclitaxel Impurity 37, Paclitaxel Impurity 64, [(1S,2S,3R,4S,7R,9R,10S,12R,15S)-4,12-diacetyloxy-1,9,15-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
| Molecular Formula | C31H38O11 |
|---|---|
| Molecular Weight | 586.24 g/mol |
| LogP | 1.6526 |
| Topological Polar Surface Area | 165.89 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 586.2414 |
| Heavy Atoms | 42 |
| Complexity | 1351.5839 |
Chemical Identifiers
| CAS Number | 31077-81-3 |
|---|---|
| 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)OC(=O)C |
Product Overview
Baccatin V (CAS 31077-81-3), with molecular formula C31H38O11 and molecular weight 586.24 g/mol. IUPAC: [(1S,2S,3R,4S,7R,9R,10S,12R,15S)-4,12-diacetyloxy-1,9,15-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 Baccatin V
Property Insights of Baccatin V
The XLogP value of 1.6526 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Baccatin V. The TPSA of 165.89 Ų indicates high polarity, suggesting Baccatin V may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Baccatin V 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 Baccatin V?
The CAS number of Baccatin V is 31077-81-3.
What is the molecular formula of Baccatin V?
The molecular formula of Baccatin V is C31H38O11.
What is the molecular weight of Baccatin V?
The molecular weight of Baccatin V is 586.24 g/mol.
Where can I buy Baccatin V?
You can request a quote for Baccatin V directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Baccatin V?
Yes, KEHONG BIO provides custom synthesis services for Baccatin V and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.