3-Ethynyl-3-hydroxyandrostan-17-one
TL;DR: 3-Ethynyl-3-hydroxyandrostan-17-one (CAS 17006-60-9) is a chemical compound with molecular formula C21H30O2 and molecular weight 314.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethynyl-3-hydroxy-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-one
Also Known As: 3-ethynyl-3-hydroxyandrostan-17-one, A 37850, 3-Ethynyl-3-hydroxyandrostan-17-one, (3beta,5alpha)-, 3-ethynyl-3-hydroxy-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-one
| Molecular Formula | C21H30O2 |
|---|---|
| Molecular Weight | 314.22 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 314.22458 |
| Heavy Atoms | 23 |
| Complexity | 586.0 |
Chemical Identifiers
| CAS Number | 17006-60-9 |
|---|---|
| SMILES | CC12CCC(CC1CCC3C2CCC4(C3CCC4=O)C)(C#C)O |
| InChIKey | QDYCOIXEXYKTPX-UHFFFAOYSA-N |
Product Overview
3-Ethynyl-3-hydroxyandrostan-17-one (CAS 17006-60-9), with molecular formula C21H30O2 and molecular weight 314.22 g/mol. IUPAC: 3-ethynyl-3-hydroxy-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-one.
Chemical Property Profile of 3-Ethynyl-3-hydroxyandrostan-17-one
Property Insights of 3-Ethynyl-3-hydroxyandrostan-17-one
The XLogP value of 3.6 indicates that 3-Ethynyl-3-hydroxyandrostan-17-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Ethynyl-3-hydroxyandrostan-17-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethynyl-3-hydroxyandrostan-17-one 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 3-Ethynyl-3-hydroxyandrostan-17-one?
The CAS number of 3-Ethynyl-3-hydroxyandrostan-17-one is 17006-60-9.
What is the molecular formula of 3-Ethynyl-3-hydroxyandrostan-17-one?
The molecular formula of 3-Ethynyl-3-hydroxyandrostan-17-one is C21H30O2.
What is the molecular weight of 3-Ethynyl-3-hydroxyandrostan-17-one?
The molecular weight of 3-Ethynyl-3-hydroxyandrostan-17-one is 314.22 g/mol.
Where can I buy 3-Ethynyl-3-hydroxyandrostan-17-one?
You can request a quote for 3-Ethynyl-3-hydroxyandrostan-17-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethynyl-3-hydroxyandrostan-17-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethynyl-3-hydroxyandrostan-17-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.