13-O-Cinnamoylbaccatin III
TL;DR: 13-O-Cinnamoylbaccatin III (CAS 220932-65-0) is a chemical compound with molecular formula C40H44O12 and molecular weight 716.28 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,12R,15S)-4,12-diacetyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-15-[(E)-3-phenylprop-2-enoyl]oxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
Also Known As: Taxuspinanane J, 13-O-Cinnamoylbaccatin III, 13-O-CinnamoylbaccatinIII, HY-N8070, [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-15-[(E)-3-phenylprop-2-enoyl]oxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
| Molecular Formula | C40H44O12 |
|---|---|
| Molecular Weight | 716.28 g/mol |
| LogP | 3.9169 |
| Topological Polar Surface Area | 171.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 716.28326 |
| Heavy Atoms | 52 |
| Complexity | 1832.502 |
Chemical Identifiers
| CAS Number | 220932-65-0 |
|---|---|
| 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]1OC(=O)/C=C/C5=CC=CC=C5)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)OC(=O)C |
Product Overview
13-O-Cinnamoylbaccatin III (CAS 220932-65-0), with molecular formula C40H44O12 and molecular weight 716.28 g/mol. IUPAC: [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-15-[(E)-3-phenylprop-2-enoyl]oxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate.
Chemical Property Profile of 13-O-Cinnamoylbaccatin III
Property Insights of 13-O-Cinnamoylbaccatin III
The XLogP value of 3.9169 indicates that 13-O-Cinnamoylbaccatin III is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 171.96 Ų indicates high polarity, suggesting 13-O-Cinnamoylbaccatin III may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 13-O-Cinnamoylbaccatin III has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 13-O-Cinnamoylbaccatin III?
The CAS number of 13-O-Cinnamoylbaccatin III is 220932-65-0.
What is the molecular formula of 13-O-Cinnamoylbaccatin III?
The molecular formula of 13-O-Cinnamoylbaccatin III is C40H44O12.
What is the molecular weight of 13-O-Cinnamoylbaccatin III?
The molecular weight of 13-O-Cinnamoylbaccatin III is 716.28 g/mol.
Where can I buy 13-O-Cinnamoylbaccatin III?
You can request a quote for 13-O-Cinnamoylbaccatin III directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 13-O-Cinnamoylbaccatin III?
Yes, KEHONG BIO provides custom synthesis services for 13-O-Cinnamoylbaccatin III and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.