17beta-Hydroxy-7alpha-methylestr-5-en-3-one acetate
TL;DR: 17beta-Hydroxy-7alpha-methylestr-5-en-3-one acetate (CAS 54793-00-9) is a chemical compound with molecular formula C21H30O3 and molecular weight 330.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(7S,8R,9S,10R,13S,14S,17S)-7,13-dimethyl-3-oxo-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
Also Known As: NIOSH/KG8011000, Sid 3744585, 17beta-Hydroxy-7alpha-methylestr-5-en-3-one acetate, 7-Methyl-3-oxoestr-5-en-17-yl acetate, 3-Oxo-7alpha-methylestr-5-en-17beta-ol acetate
| Molecular Formula | C21H30O3 |
|---|---|
| Molecular Weight | 330.22 g/mol |
| LogP | 4.3059 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 330.21948 |
| Heavy Atoms | 24 |
| Complexity | 591.8913 |
Chemical Identifiers
| CAS Number | 54793-00-9 |
|---|---|
| SMILES | C[C@@H]1C=C2CC(=O)CC[C@@H]2[C@@H]3[C@@H]1[C@@H]4CC[C@@H]([C@]4(CC3)C)OC(=O)C |
Product Overview
17beta-Hydroxy-7alpha-methylestr-5-en-3-one acetate (CAS 54793-00-9), with molecular formula C21H30O3 and molecular weight 330.22 g/mol. IUPAC: [(7S,8R,9S,10R,13S,14S,17S)-7,13-dimethyl-3-oxo-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate.
Chemical Property Profile of 17beta-Hydroxy-7alpha-methylestr-5-en-3-one acetate
Property Insights of 17beta-Hydroxy-7alpha-methylestr-5-en-3-one acetate
The XLogP value of 4.3059 indicates that 17beta-Hydroxy-7alpha-methylestr-5-en-3-one acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, 17beta-Hydroxy-7alpha-methylestr-5-en-3-one acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 17beta-Hydroxy-7alpha-methylestr-5-en-3-one acetate 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 17beta-Hydroxy-7alpha-methylestr-5-en-3-one acetate?
The CAS number of 17beta-Hydroxy-7alpha-methylestr-5-en-3-one acetate is 54793-00-9.
What is the molecular formula of 17beta-Hydroxy-7alpha-methylestr-5-en-3-one acetate?
The molecular formula of 17beta-Hydroxy-7alpha-methylestr-5-en-3-one acetate is C21H30O3.
What is the molecular weight of 17beta-Hydroxy-7alpha-methylestr-5-en-3-one acetate?
The molecular weight of 17beta-Hydroxy-7alpha-methylestr-5-en-3-one acetate is 330.22 g/mol.
Where can I buy 17beta-Hydroxy-7alpha-methylestr-5-en-3-one acetate?
You can request a quote for 17beta-Hydroxy-7alpha-methylestr-5-en-3-one acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17beta-Hydroxy-7alpha-methylestr-5-en-3-one acetate?
Yes, KEHONG BIO provides custom synthesis services for 17beta-Hydroxy-7alpha-methylestr-5-en-3-one acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.