3-Oxo-4-aza-5-androstene-17beta-carboxylic acid
TL;DR: 3-Oxo-4-aza-5-androstene-17beta-carboxylic acid (CAS 103427-62-9) is a chemical compound with molecular formula C19H27NO3 and molecular weight 317.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,3aS,3bS,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxylic acid
Also Known As: Dutasteride Impurity 36, 3-Oxo-4-aza-5-androstene-17beta-carboxylic acid, KST-1A0393, 3-Oxo-4-azaandrost-5-ene-17beta-carboxylic acid, R786
| Molecular Formula | C19H27NO3 |
|---|---|
| Molecular Weight | 317.20 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 317.1991 |
| Heavy Atoms | 23 |
| Complexity | 597.0 |
Chemical Identifiers
| CAS Number | 103427-62-9 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)O)CC=C4[C@@]3(CCC(=O)N4)C |
| InChIKey | WNUUCDPRBZUXGL-UUBMZHIOSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Oxo-4-aza-5-androstene-17beta-carboxylic acid (CAS 103427-62-9), with molecular formula C19H27NO3 and molecular weight 317.20 g/mol. IUPAC: (1S,3aS,3bS,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxylic acid.
Chemical Property Profile of 3-Oxo-4-aza-5-androstene-17beta-carboxylic acid
Property Insights of 3-Oxo-4-aza-5-androstene-17beta-carboxylic acid
The XLogP value of 3.2 indicates that 3-Oxo-4-aza-5-androstene-17beta-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Oxo-4-aza-5-androstene-17beta-carboxylic acid. Following Lipinski's Rule of Five, 3-Oxo-4-aza-5-androstene-17beta-carboxylic acid has 2 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 3-Oxo-4-aza-5-androstene-17beta-carboxylic acid?
The CAS number of 3-Oxo-4-aza-5-androstene-17beta-carboxylic acid is 103427-62-9.
What is the molecular formula of 3-Oxo-4-aza-5-androstene-17beta-carboxylic acid?
The molecular formula of 3-Oxo-4-aza-5-androstene-17beta-carboxylic acid is C19H27NO3.
What is the molecular weight of 3-Oxo-4-aza-5-androstene-17beta-carboxylic acid?
The molecular weight of 3-Oxo-4-aza-5-androstene-17beta-carboxylic acid is 317.20 g/mol.
Where can I buy 3-Oxo-4-aza-5-androstene-17beta-carboxylic acid?
You can request a quote for 3-Oxo-4-aza-5-androstene-17beta-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Oxo-4-aza-5-androstene-17beta-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Oxo-4-aza-5-androstene-17beta-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.