![[(3S,5S,8S,9S,10S,13S,14S,16S,17R)-17-acetyl-16-bromo-17-hydroxy-10,13-dimethyl-11-oxo-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate structure](/static/products/1789/178970-36-0.webp)
[(3S,5S,8S,9S,10S,13S,14S,16S,17R)-17-acetyl-16-bromo-17-hydroxy-10,13-dimethyl-11-oxo-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
TL;DR: [(3S,5S,8S,9S,10S,13S,14S,16S,17R)-17-acetyl-16-bromo-17-hydroxy-10,13-dimethyl-11-oxo-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate (CAS 178970-36-0) is a chemical compound with molecular formula C23H33BrO5 and molecular weight 468.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,5S,8S,9S,10S,13S,14S,16S,17R)-17-acetyl-16-bromo-17-hydroxy-10,13-dimethyl-11-oxo-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Also Known As: [(3S,5S,8S,9S,10S,13S,14S,16S,17R)-17-acetyl-16-bromo-17-hydroxy-10,13-dimethyl-11-oxo-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate|16.beta.-Bromo-5.alpha.-pregnan-3.beta.,20-dione-3-acetate|5|A-pregnane-11,20-dione, 16|A-bromo-3|A,17-dihydroxy-, 3-acetate|16.|A.-Bromo-5.|A.-pregnan-3.|A.,17.|A.-diol-11,20-dione-3-acetate|5.alpha.-Pregnane-11, 16.beta.-bromo-3.beta.,17-dihydroxy-, 3-acetate|16.beta.-Bromo-5.alpha.-pregnan-3.beta.,17.alpha.-diol-11,20-dione-3-aceta|5.alpha.-Pregnane-11,20-dione, 16.beta.-bromo-3.beta.,17-dihydroxy-, 3-acetate|Pregnane-11, 3-(acetyloxy)-16-bromo-17-hydroxy-, (3.beta.,5.alpha.,16.beta.)-|Pregnane-11,20-dione, 3-(acetyloxy)-16-bromo-17-hydroxy-, (3.beta.,5.alpha.,16.beta.)-|[(3S,5S,8S,9S,10S,13S,14S,16S,17R)-17-acetyl-16-bromo-17-hydroxy-10,13-dimethyl-11-oxo-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta [a]phenanthren-3-yl] acetate
| Molecular Formula | C23H33BrO5 |
|---|---|
| Molecular Weight | 468.15 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 468.15115 |
| Heavy Atoms | 29 |
| Complexity | 752.0 |
Chemical Identifiers
| CAS Number | 178970-36-0 |
|---|---|
| SMILES | CC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C)Br)O |
| InChIKey | DHFXZXVWFURDJS-UDHGNGJMSA-N |
Product Overview
[(3S,5S,8S,9S,10S,13S,14S,16S,17R)-17-acetyl-16-bromo-17-hydroxy-10,13-dimethyl-11-oxo-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate (CAS 178970-36-0), with molecular formula C23H33BrO5 and molecular weight 468.15 g/mol. IUPAC: [(3S,5S,8S,9S,10S,13S,14S,16S,17R)-17-acetyl-16-bromo-17-hydroxy-10,13-dimethyl-11-oxo-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate.
Chemical Property Profile of [(3S,5S,8S,9S,10S,13S,14S,16S,17R)-17-acetyl-16-bromo-17-hydroxy-10,13-dimethyl-11-oxo-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Property Insights of [(3S,5S,8S,9S,10S,13S,14S,16S,17R)-17-acetyl-16-bromo-17-hydroxy-10,13-dimethyl-11-oxo-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
The XLogP value of 3.3 indicates that [(3S,5S,8S,9S,10S,13S,14S,16S,17R)-17-acetyl-16-bromo-17-hydroxy-10,13-dimethyl-11-oxo-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for [(3S,5S,8S,9S,10S,13S,14S,16S,17R)-17-acetyl-16-bromo-17-hydroxy-10,13-dimethyl-11-oxo-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate. Following Lipinski's Rule of Five, [(3S,5S,8S,9S,10S,13S,14S,16S,17R)-17-acetyl-16-bromo-17-hydroxy-10,13-dimethyl-11-oxo-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [(3S,5S,8S,9S,10S,13S,14S,16S,17R)-17-acetyl-16-bromo-17-hydroxy-10,13-dimethyl-11-oxo-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate?
The CAS number of [(3S,5S,8S,9S,10S,13S,14S,16S,17R)-17-acetyl-16-bromo-17-hydroxy-10,13-dimethyl-11-oxo-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate is 178970-36-0.
What is the molecular formula of [(3S,5S,8S,9S,10S,13S,14S,16S,17R)-17-acetyl-16-bromo-17-hydroxy-10,13-dimethyl-11-oxo-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate?
The molecular formula of [(3S,5S,8S,9S,10S,13S,14S,16S,17R)-17-acetyl-16-bromo-17-hydroxy-10,13-dimethyl-11-oxo-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate is C23H33BrO5.
What is the molecular weight of [(3S,5S,8S,9S,10S,13S,14S,16S,17R)-17-acetyl-16-bromo-17-hydroxy-10,13-dimethyl-11-oxo-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate?
The molecular weight of [(3S,5S,8S,9S,10S,13S,14S,16S,17R)-17-acetyl-16-bromo-17-hydroxy-10,13-dimethyl-11-oxo-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate is 468.15 g/mol.
Where can I buy [(3S,5S,8S,9S,10S,13S,14S,16S,17R)-17-acetyl-16-bromo-17-hydroxy-10,13-dimethyl-11-oxo-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate?
You can request a quote for [(3S,5S,8S,9S,10S,13S,14S,16S,17R)-17-acetyl-16-bromo-17-hydroxy-10,13-dimethyl-11-oxo-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(3S,5S,8S,9S,10S,13S,14S,16S,17R)-17-acetyl-16-bromo-17-hydroxy-10,13-dimethyl-11-oxo-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate?
Yes, KEHONG BIO provides custom synthesis services for [(3S,5S,8S,9S,10S,13S,14S,16S,17R)-17-acetyl-16-bromo-17-hydroxy-10,13-dimethyl-11-oxo-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.