Segesterone Acetate
TL;DR: Segesterone Acetate (CAS 7759-35-5) 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-13-methyl-16-methylidene-3-oxo-2,6,7,8,9,10,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
Also Known As: Nestoron, Nestorone, Segesterone acetate, Elcometrine, segesterone-acetate
| Molecular Formula | C23H30O4 |
|---|---|
| Molecular Weight | 370.21 g/mol |
| LogP | 2.9 |
| 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 | 762.0 |
| Melting Point | 173-177 |
| Solubility | Insoluble |
Chemical Identifiers
| CAS Number | 7759-35-5 |
|---|---|
| SMILES | CC(=O)[C@]1(C(=C)C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@H]34)C)OC(=O)C |
| InChIKey | CKFBRGLGTWAVLG-GOMYTPFNSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Segesterone Acetate (CAS 7759-35-5), with molecular formula C23H30O4 and molecular weight 370.21 g/mol. IUPAC: [(8R,9S,10R,13S,14S,17R)-17-acetyl-13-methyl-16-methylidene-3-oxo-2,6,7,8,9,10,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate.
Chemical Property Profile of Segesterone Acetate
Property Insights of Segesterone Acetate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Segesterone Acetate. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Segesterone Acetate. Following Lipinski's Rule of Five, Segesterone 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 Segesterone Acetate?
The CAS number of Segesterone Acetate is 7759-35-5.
What is the molecular formula of Segesterone Acetate?
The molecular formula of Segesterone Acetate is C23H30O4.
What is the molecular weight of Segesterone Acetate?
The molecular weight of Segesterone Acetate is 370.21 g/mol.
Where can I buy Segesterone Acetate?
You can request a quote for Segesterone Acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Segesterone Acetate?
Yes, KEHONG BIO provides custom synthesis services for Segesterone Acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.