17-Hydroxy-3-oxoestra-1,4-dien-10-yl acetate
TL;DR: 17-Hydroxy-3-oxoestra-1,4-dien-10-yl acetate (CAS 4147-11-9) is a chemical compound with molecular formula C20H26O4 and molecular weight 330.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(10S,17S)-17-hydroxy-13-methyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-10-yl] acetate
Also Known As: 17-Hydroxy-3-oxoestra-1,4-dien-10-yl acetate, 10,17-beta-Dihydroxyestra-1,4-dien-3-one 10-acetate, ESTRA-1,4-DIEN-3-ONE, 10,17-beta-DIHYDROXY-, 10-ACETATE, (8xi,9xi,13xi,14xi)-17beta-Hydroxy-3-oxoestra-1,4-dien-10-yl acetate, [(10S,17S)-17-hydroxy-13-methyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-10-yl] acetate
| Molecular Formula | C20H26O4 |
|---|---|
| Molecular Weight | 330.18 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 330.1831 |
| Heavy Atoms | 24 |
| Complexity | 648.0 |
Chemical Identifiers
| CAS Number | 4147-11-9 |
|---|---|
| SMILES | CC(=O)O[C@]12C=CC(=O)C=C1CCC3C2CCC4(C3CC[C@@H]4O)C |
| InChIKey | NJDXYOQKHWTDHN-VVTOXQCRSA-N |
Product Overview
17-Hydroxy-3-oxoestra-1,4-dien-10-yl acetate (CAS 4147-11-9), with molecular formula C20H26O4 and molecular weight 330.18 g/mol. IUPAC: [(10S,17S)-17-hydroxy-13-methyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-10-yl] acetate.
Chemical Property Profile of 17-Hydroxy-3-oxoestra-1,4-dien-10-yl acetate
Property Insights of 17-Hydroxy-3-oxoestra-1,4-dien-10-yl acetate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 17-Hydroxy-3-oxoestra-1,4-dien-10-yl acetate. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 17-Hydroxy-3-oxoestra-1,4-dien-10-yl acetate. Following Lipinski's Rule of Five, 17-Hydroxy-3-oxoestra-1,4-dien-10-yl acetate has 1 hydrogen bond donor(s) and 4 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 17-Hydroxy-3-oxoestra-1,4-dien-10-yl acetate?
The CAS number of 17-Hydroxy-3-oxoestra-1,4-dien-10-yl acetate is 4147-11-9.
What is the molecular formula of 17-Hydroxy-3-oxoestra-1,4-dien-10-yl acetate?
The molecular formula of 17-Hydroxy-3-oxoestra-1,4-dien-10-yl acetate is C20H26O4.
What is the molecular weight of 17-Hydroxy-3-oxoestra-1,4-dien-10-yl acetate?
The molecular weight of 17-Hydroxy-3-oxoestra-1,4-dien-10-yl acetate is 330.18 g/mol.
Where can I buy 17-Hydroxy-3-oxoestra-1,4-dien-10-yl acetate?
You can request a quote for 17-Hydroxy-3-oxoestra-1,4-dien-10-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17-Hydroxy-3-oxoestra-1,4-dien-10-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 17-Hydroxy-3-oxoestra-1,4-dien-10-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.