Methyl 3-oxoandrostane-17-carboxylate
TL;DR: Methyl 3-oxoandrostane-17-carboxylate (CAS 53977-19-8) is a chemical compound with molecular formula C21H32O3 and molecular weight 332.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-17-carboxylate
Also Known As: Methyl 3-oxoandrostane-17-carboxylate, Methyl 3-oxo-5alpha-androstane-17beta-carboxylate, A-androstane-17, A-carboxylic acid, 3-oxo-, methyl ester, 3-Oxo-5alpha-androstane-17beta-carboxylic acid methyl ester
| Molecular Formula | C21H32O3 |
|---|---|
| Molecular Weight | 332.24 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 332.23514 |
| Heavy Atoms | 24 |
| Complexity | 555.0 |
Chemical Identifiers
| CAS Number | 53977-19-8 |
|---|---|
| SMILES | C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4C(=O)OC)C |
| InChIKey | YSBQFDHILMUWPK-KVHKMPIWSA-N |
Product Overview
Methyl 3-oxoandrostane-17-carboxylate (CAS 53977-19-8), with molecular formula C21H32O3 and molecular weight 332.24 g/mol. IUPAC: methyl (5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-17-carboxylate.
Chemical Property Profile of Methyl 3-oxoandrostane-17-carboxylate
Property Insights of Methyl 3-oxoandrostane-17-carboxylate
The XLogP value of 4.6 indicates that Methyl 3-oxoandrostane-17-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, Methyl 3-oxoandrostane-17-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-oxoandrostane-17-carboxylate 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 Methyl 3-oxoandrostane-17-carboxylate?
The CAS number of Methyl 3-oxoandrostane-17-carboxylate is 53977-19-8.
What is the molecular formula of Methyl 3-oxoandrostane-17-carboxylate?
The molecular formula of Methyl 3-oxoandrostane-17-carboxylate is C21H32O3.
What is the molecular weight of Methyl 3-oxoandrostane-17-carboxylate?
The molecular weight of Methyl 3-oxoandrostane-17-carboxylate is 332.24 g/mol.
Where can I buy Methyl 3-oxoandrostane-17-carboxylate?
You can request a quote for Methyl 3-oxoandrostane-17-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-oxoandrostane-17-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-oxoandrostane-17-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.