17 beta-((1R)-1-hydroxy-2-propynyl)androst-4-en-3-one
TL;DR: 17 beta-((1R)-1-hydroxy-2-propynyl)androst-4-en-3-one (CAS 72012-08-9) is a chemical compound with molecular formula C22H30O2 and molecular weight 326.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,9S,10R,13S,14S,17S)-17-[(1R)-1-hydroxyprop-2-ynyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Also Known As: 17-Hpao, 17beta-( androst-4-en-3-one, 17beta-((1R)-1-Hydroxy-2-propynyl)androst-4-en-3-one, (8S,9S,10R,13S,14S,17S)-17-[(1R)-1-hydroxyprop-2-ynyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one, 17 Beta-((1R)-1-hydroxy-2-propynyl)androst-4-en-3-one
| Molecular Formula | C22H30O2 |
|---|---|
| Molecular Weight | 326.22 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 326.22458 |
| Heavy Atoms | 24 |
| Complexity | 638.0 |
Chemical Identifiers
| CAS Number | 72012-08-9 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2[C@H](C#C)O)CCC4=CC(=O)CC[C@]34C |
| InChIKey | IVINXMJXYQJLGF-ZXYIWLIBSA-N |
Product Overview
17 beta-((1R)-1-hydroxy-2-propynyl)androst-4-en-3-one (CAS 72012-08-9), with molecular formula C22H30O2 and molecular weight 326.22 g/mol. IUPAC: (8S,9S,10R,13S,14S,17S)-17-[(1R)-1-hydroxyprop-2-ynyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one.
Chemical Property Profile of 17 beta-((1R)-1-hydroxy-2-propynyl)androst-4-en-3-one
Property Insights of 17 beta-((1R)-1-hydroxy-2-propynyl)androst-4-en-3-one
The XLogP value of 3.9 indicates that 17 beta-((1R)-1-hydroxy-2-propynyl)androst-4-en-3-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, 17 beta-((1R)-1-hydroxy-2-propynyl)androst-4-en-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 17 beta-((1R)-1-hydroxy-2-propynyl)androst-4-en-3-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 17 beta-((1R)-1-hydroxy-2-propynyl)androst-4-en-3-one?
The CAS number of 17 beta-((1R)-1-hydroxy-2-propynyl)androst-4-en-3-one is 72012-08-9.
What is the molecular formula of 17 beta-((1R)-1-hydroxy-2-propynyl)androst-4-en-3-one?
The molecular formula of 17 beta-((1R)-1-hydroxy-2-propynyl)androst-4-en-3-one is C22H30O2.
What is the molecular weight of 17 beta-((1R)-1-hydroxy-2-propynyl)androst-4-en-3-one?
The molecular weight of 17 beta-((1R)-1-hydroxy-2-propynyl)androst-4-en-3-one is 326.22 g/mol.
Where can I buy 17 beta-((1R)-1-hydroxy-2-propynyl)androst-4-en-3-one?
You can request a quote for 17 beta-((1R)-1-hydroxy-2-propynyl)androst-4-en-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17 beta-((1R)-1-hydroxy-2-propynyl)androst-4-en-3-one?
Yes, KEHONG BIO provides custom synthesis services for 17 beta-((1R)-1-hydroxy-2-propynyl)androst-4-en-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.