Baccatin VI, 1-dehydroxy-
TL;DR: Baccatin VI, 1-dehydroxy- (CAS 125620-72-6) is a chemical compound with molecular formula C37H46O13 and molecular weight 698.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,9S,10S,12R)-4,9,11,12,15-pentaacetyloxy-10,14,17,17-tetramethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
Also Known As: 1-Dehydroxybaccatin VI, Baccatin VI, 1-dehydroxy-, KST-1A0954, NCI60_012956, (3xi,4xi,7
| Molecular Formula | C37H46O13 |
|---|---|
| Molecular Weight | 698.29 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 167.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 13 |
| Exact Mass | 698.2938 |
| Heavy Atoms | 50 |
| Complexity | 1440.0 |
Chemical Identifiers
| CAS Number | 125620-72-6 |
|---|---|
| SMILES | CC1=C2[C@H](C([C@@]3([C@H](CC4C(C3C([C@@H](C2(C)C)CC1OC(=O)C)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)OC(=O)C)C)OC(=O)C)OC(=O)C |
| InChIKey | JHPBZGSKESVROC-LZYDVKNDSA-N |
Product Overview
Baccatin VI, 1-dehydroxy- (CAS 125620-72-6), with molecular formula C37H46O13 and molecular weight 698.29 g/mol. IUPAC: [(1R,9S,10S,12R)-4,9,11,12,15-pentaacetyloxy-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, 1-dehydroxy-
Property Insights of Baccatin VI, 1-dehydroxy-
The XLogP value of 3.3 indicates that Baccatin VI, 1-dehydroxy- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 167.0 Ų indicates high polarity, suggesting Baccatin VI, 1-dehydroxy- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Baccatin VI, 1-dehydroxy- has 0 hydrogen bond donor(s) and 13 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, 1-dehydroxy-?
The CAS number of Baccatin VI, 1-dehydroxy- is 125620-72-6.
What is the molecular formula of Baccatin VI, 1-dehydroxy-?
The molecular formula of Baccatin VI, 1-dehydroxy- is C37H46O13.
What is the molecular weight of Baccatin VI, 1-dehydroxy-?
The molecular weight of Baccatin VI, 1-dehydroxy- is 698.29 g/mol.
Where can I buy Baccatin VI, 1-dehydroxy-?
You can request a quote for Baccatin VI, 1-dehydroxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Baccatin VI, 1-dehydroxy-?
Yes, KEHONG BIO provides custom synthesis services for Baccatin VI, 1-dehydroxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.