Cortone acetate
TL;DR: Cortone acetate (CAS 96843-92-4) is a chemical compound with molecular formula C23H30O6 and molecular weight 402.20 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)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
Also Known As: Cortone acetate, [2-[(8S,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate, 2-((8S,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-3,11-dioxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl acetate
| Molecular Formula | C23H30O6 |
|---|---|
| Molecular Weight | 402.20 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 97.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 402.20422 |
| Heavy Atoms | 29 |
| Complexity | 827.0 |
Chemical Identifiers
| CAS Number | 96843-92-4 |
|---|---|
| SMILES | CC(=O)OCC(=O)[C@@]1(CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O |
| InChIKey | ITRJWOMZKQRYTA-AZAFNYDCSA-N |
Product Overview
Cortone acetate (CAS 96843-92-4), with molecular formula C23H30O6 and molecular weight 402.20 g/mol. IUPAC: [2-[(8S,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate.
Chemical Property Profile of Cortone acetate
Property Insights of Cortone acetate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cortone acetate. The TPSA of 97.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Cortone acetate. Following Lipinski's Rule of Five, Cortone acetate has 1 hydrogen bond donor(s) and 6 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 Cortone acetate?
The CAS number of Cortone acetate is 96843-92-4.
What is the molecular formula of Cortone acetate?
The molecular formula of Cortone acetate is C23H30O6.
What is the molecular weight of Cortone acetate?
The molecular weight of Cortone acetate is 402.20 g/mol.
Where can I buy Cortone acetate?
You can request a quote for Cortone acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cortone acetate?
Yes, KEHONG BIO provides custom synthesis services for Cortone acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.