妊娠烯炔醇酮
TL;DR: 妊娠烯炔醇酮 (CAS 434-03-7) 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.
妊娠烯炔醇酮
17-ethynyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Also Known As: ethisterone, Progestoral, Pregneninolone, Syngestrotabs, Aethisteron
| Molecular Formula | C21H28O2 |
|---|---|
| Molecular Weight | 312.21 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 312.20892 |
| Heavy Atoms | 23 |
| Complexity | 637.0 |
Chemical Identifiers
| CAS Number | 434-03-7 |
|---|---|
| SMILES | CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4(C#C)O)C |
| InChIKey | CHNXZKVNWQUJIB-UHFFFAOYSA-N |
Product Overview
妊娠烯炔醇酮 (CAS 434-03-7), with molecular formula C21H28O2 and molecular weight 312.21 g/mol. IUPAC: 17-ethynyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one.
Chemical Property Profile of 妊娠烯炔醇酮
Property Insights of 妊娠烯炔醇酮
The XLogP value of 3.5 indicates that 炔孕酮 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 妊娠烯炔醇酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 炔孕酮 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 炔孕酮?
The CAS number of 炔孕酮 is 434-03-7.
What is the molecular formula of 炔孕酮?
The molecular formula of 炔孕酮 is C21H28O2.
What is the molecular weight of 炔孕酮?
The molecular weight of 炔孕酮 is 312.21 g/mol.
Where can I buy 炔孕酮?
You can request a quote for 炔孕酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 炔孕酮?
Yes, KEHONG BIO provides custom synthesis services for 炔孕酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.