3-Oxo-4-pregnene-20-carboxylic acid
TL;DR: 3-Oxo-4-pregnene-20-carboxylic acid (CAS 57740-10-0) is a chemical compound with molecular formula C22H32O3 and molecular weight 344.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]propanoic acid
Also Known As: Progesterone Impurity 42, 20-carboxy-pregna-4-en-3-one, 3-oxo-4-pregnene-20-carboxylic acid, 3-O-P-20-CA, 3-oxopregn-4-ene-20-carboxylic acid
| Molecular Formula | C22H32O3 |
|---|---|
| Molecular Weight | 344.24 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 344.23514 |
| Heavy Atoms | 25 |
| Complexity | 635.0 |
Chemical Identifiers
| CAS Number | 57740-10-0 |
|---|---|
| SMILES | CC([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)C(=O)O |
| InChIKey | QETBTXOVEBTJQH-VJFOQZSSSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Oxo-4-pregnene-20-carboxylic acid (CAS 57740-10-0), with molecular formula C22H32O3 and molecular weight 344.24 g/mol. IUPAC: 2-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]propanoic acid.
Chemical Property Profile of 3-Oxo-4-pregnene-20-carboxylic acid
Property Insights of 3-Oxo-4-pregnene-20-carboxylic acid
The XLogP value of 4.7 indicates that 3-Oxo-4-pregnene-20-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, 3-Oxo-4-pregnene-20-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Oxo-4-pregnene-20-carboxylic acid has 1 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-pregnene-20-carboxylic acid?
The CAS number of 3-Oxo-4-pregnene-20-carboxylic acid is 57740-10-0.
What is the molecular formula of 3-Oxo-4-pregnene-20-carboxylic acid?
The molecular formula of 3-Oxo-4-pregnene-20-carboxylic acid is C22H32O3.
What is the molecular weight of 3-Oxo-4-pregnene-20-carboxylic acid?
The molecular weight of 3-Oxo-4-pregnene-20-carboxylic acid is 344.24 g/mol.
Where can I buy 3-Oxo-4-pregnene-20-carboxylic acid?
You can request a quote for 3-Oxo-4-pregnene-20-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-pregnene-20-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Oxo-4-pregnene-20-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.