11-Dehydrocorticosterone acetate
TL;DR: 11-Dehydrocorticosterone acetate (CAS 1173-27-9) 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,10R,13S,14S,17S)-10,13-dimethyl-3,11-dioxo-2,6,7,8,9,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
Also Known As: 11-Dehydrocorticosterone acetate, Bis(pentachlorophenyl)oxalate, 11-DEHYDROCORTICOSTERONE 21-ACETATE, 21-Acetoxy-4-pregnen-3,11,20-trion, CORTICOSTERONE, 11-DEHYDRO-, ACETATE
| Molecular Formula | C23H30O5 |
|---|---|
| Molecular Weight | 386.21 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 77.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 386.20932 |
| Heavy Atoms | 28 |
| Complexity | 780.0 |
Chemical Identifiers
| CAS Number | 1173-27-9 |
|---|---|
| SMILES | CC(=O)OCC(=O)[C@H]1CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C |
| InChIKey | DOETVHHSMBAUKN-GHBJZYDUSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
11-Dehydrocorticosterone acetate (CAS 1173-27-9), with molecular formula C23H30O5 and molecular weight 386.21 g/mol. IUPAC: [2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3,11-dioxo-2,6,7,8,9,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate.
Chemical Property Profile of 11-Dehydrocorticosterone acetate
Property Insights of 11-Dehydrocorticosterone acetate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 11-Dehydrocorticosterone acetate. The TPSA of 77.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 11-Dehydrocorticosterone acetate. Following Lipinski's Rule of Five, 11-Dehydrocorticosterone 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 11-Dehydrocorticosterone acetate?
The CAS number of 11-Dehydrocorticosterone acetate is 1173-27-9.
What is the molecular formula of 11-Dehydrocorticosterone acetate?
The molecular formula of 11-Dehydrocorticosterone acetate is C23H30O5.
What is the molecular weight of 11-Dehydrocorticosterone acetate?
The molecular weight of 11-Dehydrocorticosterone acetate is 386.21 g/mol.
Where can I buy 11-Dehydrocorticosterone acetate?
You can request a quote for 11-Dehydrocorticosterone acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11-Dehydrocorticosterone acetate?
Yes, KEHONG BIO provides custom synthesis services for 11-Dehydrocorticosterone acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.