Methyl (17beta)-3-oxoandrost-4-ene-17-carboxylate
TL;DR: Methyl (17beta)-3-oxoandrost-4-ene-17-carboxylate (CAS 32306-28-8) 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.
methyl (8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-17-carboxylate
Also Known As: Methyl 3-oxo-4-androstene-17beta-carboxylate, Dutasteride Impurity 31, methyl 3-oxo-4-androstene-17, A-carboxylate, EX-A1945
| Molecular Formula | C21H30O3 |
|---|---|
| Molecular Weight | 330.22 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 330.21948 |
| Heavy Atoms | 24 |
| Complexity | 606.0 |
Chemical Identifiers
| CAS Number | 32306-28-8 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)OC)CCC4=CC(=O)CC[C@]34C |
| InChIKey | XWFWMYFLNHTEBF-YFWFAHHUSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl (17beta)-3-oxoandrost-4-ene-17-carboxylate (CAS 32306-28-8), with molecular formula C21H30O3 and molecular weight 330.22 g/mol. IUPAC: methyl (8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-17-carboxylate.
Chemical Property Profile of Methyl (17beta)-3-oxoandrost-4-ene-17-carboxylate
Property Insights of Methyl (17beta)-3-oxoandrost-4-ene-17-carboxylate
The XLogP value of 4.0 indicates that Methyl (17beta)-3-oxoandrost-4-ene-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 (17beta)-3-oxoandrost-4-ene-17-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl (17beta)-3-oxoandrost-4-ene-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 (17beta)-3-oxoandrost-4-ene-17-carboxylate?
The CAS number of Methyl (17beta)-3-oxoandrost-4-ene-17-carboxylate is 32306-28-8.
What is the molecular formula of Methyl (17beta)-3-oxoandrost-4-ene-17-carboxylate?
The molecular formula of Methyl (17beta)-3-oxoandrost-4-ene-17-carboxylate is C21H30O3.
What is the molecular weight of Methyl (17beta)-3-oxoandrost-4-ene-17-carboxylate?
The molecular weight of Methyl (17beta)-3-oxoandrost-4-ene-17-carboxylate is 330.22 g/mol.
Where can I buy Methyl (17beta)-3-oxoandrost-4-ene-17-carboxylate?
You can request a quote for Methyl (17beta)-3-oxoandrost-4-ene-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 (17beta)-3-oxoandrost-4-ene-17-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (17beta)-3-oxoandrost-4-ene-17-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.