Baccatin VI
TL;DR: Baccatin VI (CAS 57672-79-4) is a chemical compound with molecular formula C37H46O14 and molecular weight 714.29 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,11S,12R,15S)-4,9,11,12,15-pentaacetyloxy-1-hydroxy-10,14,17,17-tetramethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
Also Known As: Baccatin VI
| Molecular Formula | C37H46O14 |
|---|---|
| Molecular Weight | 714.29 g/mol |
| LogP | 3.1568 |
| Topological Polar Surface Area | 187.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 7 |
| Exact Mass | 714.28876 |
| Heavy Atoms | 51 |
| Complexity | 1648.8108 |
Chemical Identifiers
| CAS Number | 57672-79-4 |
|---|---|
| SMILES | CC1=C2[C@H]([C@H]([C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)C)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)OC(=O)C)C)OC(=O)C)OC(=O)C |
Product Overview
Baccatin VI (CAS 57672-79-4), with molecular formula C37H46O14 and molecular weight 714.29 g/mol. IUPAC: [(1S,2S,3R,4S,7R,9S,10S,11S,12R,15S)-4,9,11,12,15-pentaacetyloxy-1-hydroxy-10,14,17,17-tetramethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate.
Chemical Property Profile of Baccatin VI
Property Insights of Baccatin VI
The XLogP value of 3.1568 indicates that Baccatin VI is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 187.26 Ų indicates high polarity, suggesting Baccatin VI may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Baccatin VI has 1 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Baccatin VI?
The CAS number of Baccatin VI is 57672-79-4.
What is the molecular formula of Baccatin VI?
The molecular formula of Baccatin VI is C37H46O14.
What is the molecular weight of Baccatin VI?
The molecular weight of Baccatin VI is 714.29 g/mol.
Where can I buy Baccatin VI?
You can request a quote for Baccatin VI directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Baccatin VI?
Yes, KEHONG BIO provides custom synthesis services for Baccatin VI and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.