3,20-Dioxopregn-4-en-21-yl 3-phenylpropanoate
TL;DR: 3,20-Dioxopregn-4-en-21-yl 3-phenylpropanoate (CAS 14007-50-2) is a chemical compound with molecular formula C30H38O4 and molecular weight 462.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl] 3-phenylpropanoate
Also Known As: Corticosterone, deoxy-, hydrocinnamate, 3,20-dioxopregn-4-en-21-yl 3-phenylpropanoate, Pregn-4-ene-3,20-dione, 21-(1-oxo-3-phenylpropoxy)-, 21-Hydroxypregn-4-ene-3,20-dione 21-(3-phenylpropionate), [2-(10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl] 3-phenylpropanoate
| Molecular Formula | C30H38O4 |
|---|---|
| Molecular Weight | 462.28 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 462.277 |
| Heavy Atoms | 34 |
| Complexity | 852.0 |
Chemical Identifiers
| CAS Number | 14007-50-2 |
|---|---|
| SMILES | CC12CCC3C(C1CCC2C(=O)COC(=O)CCC4=CC=CC=C4)CCC5=CC(=O)CCC35C |
| InChIKey | WPQKMAWYKDSBAX-UHFFFAOYSA-N |
Product Overview
3,20-Dioxopregn-4-en-21-yl 3-phenylpropanoate (CAS 14007-50-2), with molecular formula C30H38O4 and molecular weight 462.28 g/mol. IUPAC: [2-(10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl] 3-phenylpropanoate.
Chemical Property Profile of 3,20-Dioxopregn-4-en-21-yl 3-phenylpropanoate
Property Insights of 3,20-Dioxopregn-4-en-21-yl 3-phenylpropanoate
The XLogP value of 5.0 indicates that 3,20-Dioxopregn-4-en-21-yl 3-phenylpropanoate 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-21-yl 3-phenylpropanoate. Following Lipinski's Rule of Five, 3,20-Dioxopregn-4-en-21-yl 3-phenylpropanoate 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-21-yl 3-phenylpropanoate?
The CAS number of 3,20-Dioxopregn-4-en-21-yl 3-phenylpropanoate is 14007-50-2.
What is the molecular formula of 3,20-Dioxopregn-4-en-21-yl 3-phenylpropanoate?
The molecular formula of 3,20-Dioxopregn-4-en-21-yl 3-phenylpropanoate is C30H38O4.
What is the molecular weight of 3,20-Dioxopregn-4-en-21-yl 3-phenylpropanoate?
The molecular weight of 3,20-Dioxopregn-4-en-21-yl 3-phenylpropanoate is 462.28 g/mol.
Where can I buy 3,20-Dioxopregn-4-en-21-yl 3-phenylpropanoate?
You can request a quote for 3,20-Dioxopregn-4-en-21-yl 3-phenylpropanoate 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-21-yl 3-phenylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for 3,20-Dioxopregn-4-en-21-yl 3-phenylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.