5-alpha-Pregn-2-en-20-yn-17-beta-ol
TL;DR: 5-alpha-Pregn-2-en-20-yn-17-beta-ol (CAS 3642-95-3) is a chemical compound with molecular formula C21H30O and molecular weight 298.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5S,8R,9S,10S,13S,14S,17R)-17-ethynyl-10,13-dimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ol
Also Known As: 17alpha-Dihydroquilenin, NIOSH/TU5568000, KST-1A4711, 5-alpha-Pregn-2-en-20-yn-17-beta-ol, (5
| Molecular Formula | C21H30O |
|---|---|
| Molecular Weight | 298.23 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 298.22968 |
| Heavy Atoms | 22 |
| Complexity | 553.0 |
Chemical Identifiers
| CAS Number | 3642-95-3 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CC[C@@H]4[C@@]3(CC=CC4)C |
| InChIKey | CYJOYLQIRRWROZ-OGNRNXDYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-alpha-Pregn-2-en-20-yn-17-beta-ol (CAS 3642-95-3), with molecular formula C21H30O and molecular weight 298.23 g/mol. IUPAC: (5S,8R,9S,10S,13S,14S,17R)-17-ethynyl-10,13-dimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ol.
Chemical Property Profile of 5-alpha-Pregn-2-en-20-yn-17-beta-ol
Property Insights of 5-alpha-Pregn-2-en-20-yn-17-beta-ol
The XLogP value of 5.0 indicates that 5-alpha-Pregn-2-en-20-yn-17-beta-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 5-alpha-Pregn-2-en-20-yn-17-beta-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-alpha-Pregn-2-en-20-yn-17-beta-ol has 1 hydrogen bond donor(s) and 1 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 5-alpha-Pregn-2-en-20-yn-17-beta-ol?
The CAS number of 5-alpha-Pregn-2-en-20-yn-17-beta-ol is 3642-95-3.
What is the molecular formula of 5-alpha-Pregn-2-en-20-yn-17-beta-ol?
The molecular formula of 5-alpha-Pregn-2-en-20-yn-17-beta-ol is C21H30O.
What is the molecular weight of 5-alpha-Pregn-2-en-20-yn-17-beta-ol?
The molecular weight of 5-alpha-Pregn-2-en-20-yn-17-beta-ol is 298.23 g/mol.
Where can I buy 5-alpha-Pregn-2-en-20-yn-17-beta-ol?
You can request a quote for 5-alpha-Pregn-2-en-20-yn-17-beta-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-alpha-Pregn-2-en-20-yn-17-beta-ol?
Yes, KEHONG BIO provides custom synthesis services for 5-alpha-Pregn-2-en-20-yn-17-beta-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.