19-Oxo-11-deoxycorticosterone acetate
TL;DR: 19-Oxo-11-deoxycorticosterone acetate (CAS 88378-35-2) is a chemical compound with molecular formula C23H30O5 and molecular weight 386.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(8S,9S,10S,13S,14S,17S)-10-formyl-13-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
Also Known As: 19-Oxo-doca, 19-Oxo-11-deoxycorticosterone acetate, SID:92098475, Pregn-4-en-19-al, 21-(acetyloxy)-3,20-dioxo-, 3,19,20-TRIOXOPREGN-4-EN-21-YL ACETATE
| Molecular Formula | C23H30O5 |
|---|---|
| Molecular Weight | 386.21 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 77.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 386.20932 |
| Heavy Atoms | 28 |
| Complexity | 752.0 |
Chemical Identifiers
| CAS Number | 88378-35-2 |
|---|---|
| SMILES | CC(=O)OCC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C=O)C |
| InChIKey | QFLMESOQPFFEMD-ZNHHMURHSA-N |
Product Overview
19-Oxo-11-deoxycorticosterone acetate (CAS 88378-35-2), with molecular formula C23H30O5 and molecular weight 386.21 g/mol. IUPAC: [2-[(8S,9S,10S,13S,14S,17S)-10-formyl-13-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate.
Chemical Property Profile of 19-Oxo-11-deoxycorticosterone acetate
Property Insights of 19-Oxo-11-deoxycorticosterone acetate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 19-Oxo-11-deoxycorticosterone acetate. The TPSA of 77.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 19-Oxo-11-deoxycorticosterone acetate. Following Lipinski's Rule of Five, 19-Oxo-11-deoxycorticosterone acetate has 0 hydrogen bond donor(s) and 5 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 19-Oxo-11-deoxycorticosterone acetate?
The CAS number of 19-Oxo-11-deoxycorticosterone acetate is 88378-35-2.
What is the molecular formula of 19-Oxo-11-deoxycorticosterone acetate?
The molecular formula of 19-Oxo-11-deoxycorticosterone acetate is C23H30O5.
What is the molecular weight of 19-Oxo-11-deoxycorticosterone acetate?
The molecular weight of 19-Oxo-11-deoxycorticosterone acetate is 386.21 g/mol.
Where can I buy 19-Oxo-11-deoxycorticosterone acetate?
You can request a quote for 19-Oxo-11-deoxycorticosterone acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 19-Oxo-11-deoxycorticosterone acetate?
Yes, KEHONG BIO provides custom synthesis services for 19-Oxo-11-deoxycorticosterone acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.