7-Triethylsilyl-13-oxobaccatin III
TL;DR: 7-Triethylsilyl-13-oxobaccatin III (CAS 150665-56-8) is a chemical compound with molecular formula C37H50O11Si and molecular weight 698.31 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)-4,12-diacetyloxy-1-hydroxy-10,14,17,17-tetramethyl-11,15-dioxo-9-triethylsilyloxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
Also Known As: 7-Triethylsilyl-13-oxobaccatin III, 13-oxo-7-o-(triethylsilyl)-baccatin iii, [(1S,2S,3R,4S,7R,9S,10S,12R)-4,12-Diacetyloxy-1-hydroxy-10,14,17,17-tetramethyl-11,15-dioxo-9-triethylsilyloxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate, [2aR-(2aalpha,4beta,4abeta,6beta,11alpha,12alpha,12aalpha,12balpha)]-6,12b-Bis(acetyloxy)-12-(benzoyloxy)-2a,4,4a,10,11,12,12a,12b-octahydro-11-hydroxy-4a,8,13,13-tetramethyl-4-[(triethylsilyl)oxy]-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxete-5,9(3H,6H)-dione, (1S)-4alpha,10beta-Diacetoxy-2alpha-(benzoyloxy)-5beta,20-epoxy-1-hydroxy-7beta-(triethylsiloxy)taxa-11-ene-9,13-dione
| Molecular Formula | C37H50O11Si |
|---|---|
| Molecular Weight | 698.31 g/mol |
| LogP | 4.8903 |
| Topological Polar Surface Area | 151.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 698.31226 |
| Heavy Atoms | 49 |
| Complexity | 1556.3396 |
Chemical Identifiers
| CAS Number | 150665-56-8 |
|---|---|
| SMILES | CC[Si](CC)(CC)O[C@H]1C[C@@H]2[C@@](CO2)([C@@H]3[C@@]1(C(=O)[C@@H](C4=C(C(=O)C[C@@]([C@H]3OC(=O)C5=CC=CC=C5)(C4(C)C)O)C)OC(=O)C)C)OC(=O)C |
Product Overview
7-Triethylsilyl-13-oxobaccatin III (CAS 150665-56-8), with molecular formula C37H50O11Si and molecular weight 698.31 g/mol. IUPAC: [(1S,2S,3R,4S,7R,9S,10S,12R)-4,12-diacetyloxy-1-hydroxy-10,14,17,17-tetramethyl-11,15-dioxo-9-triethylsilyloxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate.
Chemical Property Profile of 7-Triethylsilyl-13-oxobaccatin III
Property Insights of 7-Triethylsilyl-13-oxobaccatin III
The XLogP value of 4.8903 indicates that 7-Triethylsilyl-13-oxobaccatin III is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 151.73 Ų indicates high polarity, suggesting 7-Triethylsilyl-13-oxobaccatin III may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 7-Triethylsilyl-13-oxobaccatin III has 1 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 7-Triethylsilyl-13-oxobaccatin III?
The CAS number of 7-Triethylsilyl-13-oxobaccatin III is 150665-56-8.
What is the molecular formula of 7-Triethylsilyl-13-oxobaccatin III?
The molecular formula of 7-Triethylsilyl-13-oxobaccatin III is C37H50O11Si.
What is the molecular weight of 7-Triethylsilyl-13-oxobaccatin III?
The molecular weight of 7-Triethylsilyl-13-oxobaccatin III is 698.31 g/mol.
Where can I buy 7-Triethylsilyl-13-oxobaccatin III?
You can request a quote for 7-Triethylsilyl-13-oxobaccatin III directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Triethylsilyl-13-oxobaccatin III?
Yes, KEHONG BIO provides custom synthesis services for 7-Triethylsilyl-13-oxobaccatin III and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.