Demegestone
TL;DR: Demegestone (CAS 10116-22-0) is a chemical compound with molecular formula C21H28O2 and molecular weight 312.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,13S,14S,17S)-17-acetyl-13,17-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
Also Known As: Demegestone, Lutionex, Demegestona, Demegestonum, Dimegestone
| Molecular Formula | C21H28O2 |
|---|---|
| Molecular Weight | 312.21 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 312.20892 |
| Heavy Atoms | 23 |
| Complexity | 653.0 |
Chemical Identifiers
| CAS Number | 10116-22-0 |
|---|---|
| SMILES | CC(=O)[C@]1(CC[C@@H]2[C@@]1(CCC3=C4CCC(=O)C=C4CC[C@@H]23)C)C |
| InChIKey | JWAHBTQSSMYISL-MHTWAQMVSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Demegestone (CAS 10116-22-0), with molecular formula C21H28O2 and molecular weight 312.21 g/mol. IUPAC: (8S,13S,14S,17S)-17-acetyl-13,17-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one.
Chemical Property Profile of Demegestone
Property Insights of Demegestone
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Demegestone. With a topological polar surface area (TPSA) of 34.1 Ų, Demegestone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Demegestone has 0 hydrogen bond donor(s) and 2 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 Demegestone?
The CAS number of Demegestone is 10116-22-0.
What is the molecular formula of Demegestone?
The molecular formula of Demegestone is C21H28O2.
What is the molecular weight of Demegestone?
The molecular weight of Demegestone is 312.21 g/mol.
Where can I buy Demegestone?
You can request a quote for Demegestone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Demegestone?
Yes, KEHONG BIO provides custom synthesis services for Demegestone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.