(20S)-3-Oxopregna-1,4-diene-20-carboxylic acid
TL;DR: (20S)-3-Oxopregna-1,4-diene-20-carboxylic acid (CAS 20248-18-4) is a chemical compound with molecular formula C22H30O3 and molecular weight 342.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]propanoic acid
Also Known As: 11-Bcpo, 20-Carboxy-1,4-pregnadien-3-one, Progesterone Impurity 54, 3-oxopregna-1,4-diene-20-carboxylicacid, 3-Oxo-bisnorchola-1,4-dien-22-oic acid
| Molecular Formula | C22H30O3 |
|---|---|
| Molecular Weight | 342.22 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 342.21948 |
| Heavy Atoms | 25 |
| Complexity | 675.0 |
Chemical Identifiers
| CAS Number | 20248-18-4 |
|---|---|
| SMILES | C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)C)C(=O)O |
| InChIKey | OZESBBVMFLIODA-WAMTXRNCSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(20S)-3-Oxopregna-1,4-diene-20-carboxylic acid (CAS 20248-18-4), with molecular formula C22H30O3 and molecular weight 342.22 g/mol. IUPAC: (2S)-2-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]propanoic acid.
Chemical Property Profile of (20S)-3-Oxopregna-1,4-diene-20-carboxylic acid
Property Insights of (20S)-3-Oxopregna-1,4-diene-20-carboxylic acid
The XLogP value of 5.0 indicates that (20S)-3-Oxopregna-1,4-diene-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, (20S)-3-Oxopregna-1,4-diene-20-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (20S)-3-Oxopregna-1,4-diene-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 (20S)-3-Oxopregna-1,4-diene-20-carboxylic acid?
The CAS number of (20S)-3-Oxopregna-1,4-diene-20-carboxylic acid is 20248-18-4.
What is the molecular formula of (20S)-3-Oxopregna-1,4-diene-20-carboxylic acid?
The molecular formula of (20S)-3-Oxopregna-1,4-diene-20-carboxylic acid is C22H30O3.
What is the molecular weight of (20S)-3-Oxopregna-1,4-diene-20-carboxylic acid?
The molecular weight of (20S)-3-Oxopregna-1,4-diene-20-carboxylic acid is 342.22 g/mol.
Where can I buy (20S)-3-Oxopregna-1,4-diene-20-carboxylic acid?
You can request a quote for (20S)-3-Oxopregna-1,4-diene-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 (20S)-3-Oxopregna-1,4-diene-20-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (20S)-3-Oxopregna-1,4-diene-20-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.