9-Dihydro-13-acetylbaccatin III
TL;DR: 9-Dihydro-13-acetylbaccatin III (CAS 142203-65-4) is a chemical compound with molecular formula C33H42O12 and molecular weight 630.27 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,11R,12R,15S)-4,12,15-triacetyloxy-1,9,11-trihydroxy-10,14,17,17-tetramethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
Also Known As: Ddabvi, 9-Dihydro-13-acetylbaccatin III, 13-Acetyl-9-dihydrobaccatin III, 7,9-Dideacetyl baccatin VI, 7,9-Dideacetylbaccatin VI
| Molecular Formula | C33H42O12 |
|---|---|
| Molecular Weight | 630.27 g/mol |
| LogP | 2.0152 |
| Topological Polar Surface Area | 175.12 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 630.26764 |
| Heavy Atoms | 45 |
| Complexity | 1419.6165 |
Chemical Identifiers
| CAS Number | 142203-65-4 |
|---|---|
| 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)O)C)O)OC(=O)C |
Product Overview
9-Dihydro-13-acetylbaccatin III (CAS 142203-65-4), with molecular formula C33H42O12 and molecular weight 630.27 g/mol. IUPAC: [(1S,2S,3R,4S,7R,9S,10S,11R,12R,15S)-4,12,15-triacetyloxy-1,9,11-trihydroxy-10,14,17,17-tetramethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate.
Chemical Property Profile of 9-Dihydro-13-acetylbaccatin III
Property Insights of 9-Dihydro-13-acetylbaccatin III
The XLogP value of 2.0152 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Dihydro-13-acetylbaccatin III. The TPSA of 175.12 Ų indicates high polarity, suggesting 9-Dihydro-13-acetylbaccatin III may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 9-Dihydro-13-acetylbaccatin III has 3 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 9-Dihydro-13-acetylbaccatin III?
The CAS number of 9-Dihydro-13-acetylbaccatin III is 142203-65-4.
What is the molecular formula of 9-Dihydro-13-acetylbaccatin III?
The molecular formula of 9-Dihydro-13-acetylbaccatin III is C33H42O12.
What is the molecular weight of 9-Dihydro-13-acetylbaccatin III?
The molecular weight of 9-Dihydro-13-acetylbaccatin III is 630.27 g/mol.
Where can I buy 9-Dihydro-13-acetylbaccatin III?
You can request a quote for 9-Dihydro-13-acetylbaccatin III directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Dihydro-13-acetylbaccatin III?
Yes, KEHONG BIO provides custom synthesis services for 9-Dihydro-13-acetylbaccatin III and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.