Pregna-1,4-diene-3,20-dione, 17-hydroxy-, acetate
TL;DR: Pregna-1,4-diene-3,20-dione, 17-hydroxy-, acetate (CAS 2668-74-8) is a chemical compound with molecular formula C23H30O4 and molecular weight 370.21 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-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] acetate
Also Known As: Cyproterone Acetate EP Impurity H, Pregna-1,4-diene-3,20-dione, 17-hydroxy-, acetate, 3,20-Dioxopregna-1,4-dien-17-yl acetate, 17-Acetyloxy-pregna-1,4-diene-3,20-dione, Pregna-1,4-diene-3,20-dione, 17-(acetyloxy)-
| Molecular Formula | C23H30O4 |
|---|---|
| Molecular Weight | 370.21 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 370.21442 |
| Heavy Atoms | 27 |
| Complexity | 777.0 |
Chemical Identifiers
| CAS Number | 2668-74-8 |
|---|---|
| SMILES | CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)C)OC(=O)C |
| InChIKey | HROBKIGWGPCEDS-KOORYGTMSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pregna-1,4-diene-3,20-dione, 17-hydroxy-, acetate (CAS 2668-74-8), with molecular formula C23H30O4 and molecular weight 370.21 g/mol. IUPAC: [(8R,9S,10R,13S,14S,17R)-17-acetyl-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] acetate.
Chemical Property Profile of Pregna-1,4-diene-3,20-dione, 17-hydroxy-, acetate
Property Insights of Pregna-1,4-diene-3,20-dione, 17-hydroxy-, acetate
The XLogP value of 3.9 indicates that Pregna-1,4-diene-3,20-dione, 17-hydroxy-, acetate 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 Pregna-1,4-diene-3,20-dione, 17-hydroxy-, acetate. Following Lipinski's Rule of Five, Pregna-1,4-diene-3,20-dione, 17-hydroxy-, acetate 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 Pregna-1,4-diene-3,20-dione, 17-hydroxy-, acetate?
The CAS number of Pregna-1,4-diene-3,20-dione, 17-hydroxy-, acetate is 2668-74-8.
What is the molecular formula of Pregna-1,4-diene-3,20-dione, 17-hydroxy-, acetate?
The molecular formula of Pregna-1,4-diene-3,20-dione, 17-hydroxy-, acetate is C23H30O4.
What is the molecular weight of Pregna-1,4-diene-3,20-dione, 17-hydroxy-, acetate?
The molecular weight of Pregna-1,4-diene-3,20-dione, 17-hydroxy-, acetate is 370.21 g/mol.
Where can I buy Pregna-1,4-diene-3,20-dione, 17-hydroxy-, acetate?
You can request a quote for Pregna-1,4-diene-3,20-dione, 17-hydroxy-, acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pregna-1,4-diene-3,20-dione, 17-hydroxy-, acetate?
Yes, KEHONG BIO provides custom synthesis services for Pregna-1,4-diene-3,20-dione, 17-hydroxy-, acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.