19-Ethynyl-19-hydroxyandrost-4-en-17-one
TL;DR: 19-Ethynyl-19-hydroxyandrost-4-en-17-one (CAS 135144-30-8) 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.
(8R,9S,10S,13S,14S)-10-[(1S)-1-hydroxyprop-2-ynyl]-13-methyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
Also Known As: 19-Ehaeo, 19-Ethynyl-19-hydroxyandrost-4-en-17-one, J3.081.630G, (19R/S)-19-ethynyl-19-hydroxyandrost-4-en-17-one, 10-[(S)-1-Hydroxy-2-propynyl]estra-4-ene-17-one
| Molecular Formula | C21H28O2 |
|---|---|
| Molecular Weight | 312.21 g/mol |
| LogP | 3.3 |
| 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 | 609.0 |
Chemical Identifiers
| CAS Number | 135144-30-8 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CCCC[C@]34[C@H](C#C)O |
| InChIKey | PNYTVFWLOYBJNO-JPRZGNOKSA-N |
Product Overview
19-Ethynyl-19-hydroxyandrost-4-en-17-one (CAS 135144-30-8), with molecular formula C21H28O2 and molecular weight 312.21 g/mol. IUPAC: (8R,9S,10S,13S,14S)-10-[(1S)-1-hydroxyprop-2-ynyl]-13-methyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one.
Chemical Property Profile of 19-Ethynyl-19-hydroxyandrost-4-en-17-one
Property Insights of 19-Ethynyl-19-hydroxyandrost-4-en-17-one
The XLogP value of 3.3 indicates that 19-Ethynyl-19-hydroxyandrost-4-en-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, 19-Ethynyl-19-hydroxyandrost-4-en-17-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 19-Ethynyl-19-hydroxyandrost-4-en-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 19-Ethynyl-19-hydroxyandrost-4-en-17-one?
The CAS number of 19-Ethynyl-19-hydroxyandrost-4-en-17-one is 135144-30-8.
What is the molecular formula of 19-Ethynyl-19-hydroxyandrost-4-en-17-one?
The molecular formula of 19-Ethynyl-19-hydroxyandrost-4-en-17-one is C21H28O2.
What is the molecular weight of 19-Ethynyl-19-hydroxyandrost-4-en-17-one?
The molecular weight of 19-Ethynyl-19-hydroxyandrost-4-en-17-one is 312.21 g/mol.
Where can I buy 19-Ethynyl-19-hydroxyandrost-4-en-17-one?
You can request a quote for 19-Ethynyl-19-hydroxyandrost-4-en-17-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 19-Ethynyl-19-hydroxyandrost-4-en-17-one?
Yes, KEHONG BIO provides custom synthesis services for 19-Ethynyl-19-hydroxyandrost-4-en-17-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.