Trimegestone
TL;DR: Trimegestone (CAS 74513-62-5) is a chemical compound with molecular formula C22H30O3 and molecular weight 342.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,13S,14S,17S)-17-[(2S)-2-hydroxypropanoyl]-13,17-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
Also Known As: Trimegestone, Trimegestona, trimegeston, trimegestonum, Ondeva
| Molecular Formula | C22H30O3 |
|---|---|
| Molecular Weight | 342.22 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 342.21948 |
| Heavy Atoms | 25 |
| Complexity | 700.0 |
Chemical Identifiers
| CAS Number | 74513-62-5 |
|---|---|
| SMILES | C[C@@H](C(=O)[C@]1(CC[C@@H]2[C@@]1(CCC3=C4CCC(=O)C=C4CC[C@@H]23)C)C)O |
| InChIKey | JUNDJWOLDSCTFK-MTZCLOFQSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Trimegestone (CAS 74513-62-5), with molecular formula C22H30O3 and molecular weight 342.22 g/mol. IUPAC: (8S,13S,14S,17S)-17-[(2S)-2-hydroxypropanoyl]-13,17-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one.
Chemical Property Profile of Trimegestone
Property Insights of Trimegestone
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trimegestone. With a topological polar surface area (TPSA) of 54.4 Ų, Trimegestone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trimegestone has 1 hydrogen bond donor(s) and 3 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 Trimegestone?
The CAS number of Trimegestone is 74513-62-5.
What is the molecular formula of Trimegestone?
The molecular formula of Trimegestone is C22H30O3.
What is the molecular weight of Trimegestone?
The molecular weight of Trimegestone is 342.22 g/mol.
Where can I buy Trimegestone?
You can request a quote for Trimegestone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trimegestone?
Yes, KEHONG BIO provides custom synthesis services for Trimegestone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.