4-孕烯-3,20-二酮-21-酸
TL;DR: 4-孕烯-3,20-二酮-21-酸 (CAS 2681-57-4) is a chemical compound with molecular formula C21H28O4 and molecular weight 344.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-孕烯-3,20-二酮-21-酸
2-[(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]phenanthren-17-yl]-2-oxoacetic acid
Also Known As: Pregnenoic acid, Corticosterone Impurity 3, 4-Pregnene-3,20-dione-21-oic acid, 4-pregnene-3,20-dione-21-oicacid, 3,20-dioxopregn-4-en-21-oic acid
| Molecular Formula | C21H28O4 |
|---|---|
| Molecular Weight | 344.20 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 71.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 344.19876 |
| Heavy Atoms | 25 |
| Complexity | 677.0 |
Chemical Identifiers
| CAS Number | 2681-57-4 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)C(=O)O)CCC4=CC(=O)CC[C@]34C |
| InChIKey | LWKCHEXQYCMNME-GQDVPIKJSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-孕烯-3,20-二酮-21-酸 (CAS 2681-57-4), with molecular formula C21H28O4 and molecular weight 344.20 g/mol. IUPAC: 2-[(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]phenanthren-17-yl]-2-oxoacetic acid.
Chemical Property Profile of 4-孕烯-3,20-二酮-21-酸
Property Insights of 4-孕烯-3,20-二酮-21-酸
The XLogP value of 3.6 indicates that 4-孕烯-3,20-二酮-21-酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-孕烯-3,20-二酮-21-酸. Following Lipinski's Rule of Five, 4-孕烯-3,20-二酮-21-酸 has 1 hydrogen bond donor(s) and 4 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 4-孕烯-3,20-二酮-21-酸?
The CAS number of 4-孕烯-3,20-二酮-21-酸 is 2681-57-4.
What is the molecular formula of 4-孕烯-3,20-二酮-21-酸?
The molecular formula of 4-孕烯-3,20-二酮-21-酸 is C21H28O4.
What is the molecular weight of 4-孕烯-3,20-二酮-21-酸?
The molecular weight of 4-孕烯-3,20-二酮-21-酸 is 344.20 g/mol.
Where can I buy 4-孕烯-3,20-二酮-21-酸?
You can request a quote for 4-孕烯-3,20-二酮-21-酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-孕烯-3,20-二酮-21-酸?
Yes, KEHONG BIO provides custom synthesis services for 4-孕烯-3,20-二酮-21-酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.