3,20-Dioxopregn-4-en-17-yl propanoate
TL;DR: 3,20-Dioxopregn-4-en-17-yl propanoate (CAS 3249-69-2) is a chemical compound with molecular formula C24H34O4 and molecular weight 386.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8R,9S,10R,13S,14S,17R)-17-acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] propanoate
Also Known As: 3,20-dioxopregn-4-en-17-yl propanoate, Hydrocortisone Impurity 96, [(8R,9S,10R,13S,14S,17R)-17-acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] propanoate, Pregn-4-ene-3,20-dione,17-(1-oxopropoxy)- (9CI), (8R,9S,10R,13S,14S,17R)-17-acetyl-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl propionate
| Molecular Formula | C24H34O4 |
|---|---|
| Molecular Weight | 386.25 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 386.2457 |
| Heavy Atoms | 28 |
| Complexity | 752.0 |
Chemical Identifiers
| CAS Number | 3249-69-2 |
|---|---|
| SMILES | CCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)C(=O)C |
| InChIKey | FOEWOVDSUXQZCV-NSWVHSCQSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,20-Dioxopregn-4-en-17-yl propanoate (CAS 3249-69-2), with molecular formula C24H34O4 and molecular weight 386.25 g/mol. IUPAC: [(8R,9S,10R,13S,14S,17R)-17-acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] propanoate.
Chemical Property Profile of 3,20-Dioxopregn-4-en-17-yl propanoate
Property Insights of 3,20-Dioxopregn-4-en-17-yl propanoate
The XLogP value of 4.2 indicates that 3,20-Dioxopregn-4-en-17-yl propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,20-Dioxopregn-4-en-17-yl propanoate. Following Lipinski's Rule of Five, 3,20-Dioxopregn-4-en-17-yl propanoate has 0 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 3,20-Dioxopregn-4-en-17-yl propanoate?
The CAS number of 3,20-Dioxopregn-4-en-17-yl propanoate is 3249-69-2.
What is the molecular formula of 3,20-Dioxopregn-4-en-17-yl propanoate?
The molecular formula of 3,20-Dioxopregn-4-en-17-yl propanoate is C24H34O4.
What is the molecular weight of 3,20-Dioxopregn-4-en-17-yl propanoate?
The molecular weight of 3,20-Dioxopregn-4-en-17-yl propanoate is 386.25 g/mol.
Where can I buy 3,20-Dioxopregn-4-en-17-yl propanoate?
You can request a quote for 3,20-Dioxopregn-4-en-17-yl propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,20-Dioxopregn-4-en-17-yl propanoate?
Yes, KEHONG BIO provides custom synthesis services for 3,20-Dioxopregn-4-en-17-yl propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.