17-(Acetyloxy)-,(17beta)-estr-5(10)-en-3-one
TL;DR: 17-(Acetyloxy)-,(17beta)-estr-5(10)-en-3-one (CAS 22841-77-6) is a chemical compound with molecular formula C20H28O3 and molecular weight 316.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8R,9S,13S,14S,17S)-13-methyl-3-oxo-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
Also Known As: 17-(Acetyloxy)-,(17beta)-estr-5(10)-en-3-one, 17beta-Hydroxyestr-5(10)-en-3-one acetate, 19-Norandrost-5(10)-en-17beta-acetoxy-3-one, 3-Oxoestr-5(10)-en-17beta-yl acetate, A-hydroxyestr-5(10)-en-3-one acetate
| Molecular Formula | C20H28O3 |
|---|---|
| Molecular Weight | 316.20 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 316.20386 |
| Heavy Atoms | 23 |
| Complexity | 575.0 |
Chemical Identifiers
| CAS Number | 22841-77-6 |
|---|---|
| SMILES | CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C3CCC(=O)C4)C |
| InChIKey | JKSYUQKNAOZGAO-SLHNCBLASA-N |
Product Overview
17-(Acetyloxy)-,(17beta)-estr-5(10)-en-3-one (CAS 22841-77-6), with molecular formula C20H28O3 and molecular weight 316.20 g/mol. IUPAC: [(8R,9S,13S,14S,17S)-13-methyl-3-oxo-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate.
Chemical Property Profile of 17-(Acetyloxy)-,(17beta)-estr-5(10)-en-3-one
Property Insights of 17-(Acetyloxy)-,(17beta)-estr-5(10)-en-3-one
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 17-(Acetyloxy)-,(17beta)-estr-5(10)-en-3-one. With a topological polar surface area (TPSA) of 43.4 Ų, 17-(Acetyloxy)-,(17beta)-estr-5(10)-en-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 17-(Acetyloxy)-,(17beta)-estr-5(10)-en-3-one has 0 hydrogen bond donor(s) and 3 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-(Acetyloxy)-,(17beta)-estr-5(10)-en-3-one?
The CAS number of 17-(Acetyloxy)-,(17beta)-estr-5(10)-en-3-one is 22841-77-6.
What is the molecular formula of 17-(Acetyloxy)-,(17beta)-estr-5(10)-en-3-one?
The molecular formula of 17-(Acetyloxy)-,(17beta)-estr-5(10)-en-3-one is C20H28O3.
What is the molecular weight of 17-(Acetyloxy)-,(17beta)-estr-5(10)-en-3-one?
The molecular weight of 17-(Acetyloxy)-,(17beta)-estr-5(10)-en-3-one is 316.20 g/mol.
Where can I buy 17-(Acetyloxy)-,(17beta)-estr-5(10)-en-3-one?
You can request a quote for 17-(Acetyloxy)-,(17beta)-estr-5(10)-en-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17-(Acetyloxy)-,(17beta)-estr-5(10)-en-3-one?
Yes, KEHONG BIO provides custom synthesis services for 17-(Acetyloxy)-,(17beta)-estr-5(10)-en-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.