孕三烯酮
TL;DR: 孕三烯酮 (CAS 16320-04-0) is a chemical compound with molecular formula C21H24O2 and molecular weight 308.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
孕三烯酮
(8S,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
Also Known As: Gestrinone, Dimetriose, Nemestran, Dimetrose, Tridomose
| Molecular Formula | C21H24O2 |
|---|---|
| Molecular Weight | 308.18 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 308.17764 |
| Heavy Atoms | 23 |
| Complexity | 713.0 |
| Melting Point | 150-152 |
| Boiling Point | 507.638 |
Chemical Identifiers
| CAS Number | 16320-04-0 |
|---|---|
| SMILES | CC[C@]12C=CC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(C#C)O |
| InChIKey | BJJXHLWLUDYTGC-ANULTFPQSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
孕三烯酮 (CAS 16320-04-0), with molecular formula C21H24O2 and molecular weight 308.18 g/mol. IUPAC: (8S,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one.
Chemical Property Profile of 孕三烯酮
Property Insights of 孕三烯酮
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 孕三烯酮. With a topological polar surface area (TPSA) of 37.3 Ų, 孕三烯酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 孕三烯酮 has 1 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 孕三烯酮?
The CAS number of 孕三烯酮 is 16320-04-0.
What is the molecular formula of 孕三烯酮?
The molecular formula of 孕三烯酮 is C21H24O2.
What is the molecular weight of 孕三烯酮?
The molecular weight of 孕三烯酮 is 308.18 g/mol.
Where can I buy 孕三烯酮?
You can request a quote for 孕三烯酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 孕三烯酮?
Yes, KEHONG BIO provides custom synthesis services for 孕三烯酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.