20-(1-Hexynyl)-5-pregnen-3,20-diol
TL;DR: 20-(1-Hexynyl)-5-pregnen-3,20-diol (CAS 92791-19-0) is a chemical compound with molecular formula C27H42O2 and molecular weight 398.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,8S,9S,10R,13S,14S,17S)-17-[(2R)-2-hydroxyoct-3-yn-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Also Known As: 20-Hyp-diol, 1,1'-bidibenzofuran, 20-(1-Hexynyl)-5-pregnen-3,20-diol, Pregn-5-ene-3,20-diol, 20-(1-hexynyl)-, (3beta,20R)-, Pregn-5-ene-3,20-diol, 20-(1-hexynyl)-, (3b,20R)-
| Molecular Formula | C27H42O2 |
|---|---|
| Molecular Weight | 398.32 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.31848 |
| Heavy Atoms | 29 |
| Complexity | 725.0 |
Chemical Identifiers
| CAS Number | 92791-19-0 |
|---|---|
| SMILES | CCCCC#C[C@@](C)([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O |
| InChIKey | QJRTUVMLFBAMGN-APGJSSKUSA-N |
Product Overview
20-(1-Hexynyl)-5-pregnen-3,20-diol (CAS 92791-19-0), with molecular formula C27H42O2 and molecular weight 398.32 g/mol. IUPAC: (3S,8S,9S,10R,13S,14S,17S)-17-[(2R)-2-hydroxyoct-3-yn-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol.
Chemical Property Profile of 20-(1-Hexynyl)-5-pregnen-3,20-diol
Property Insights of 20-(1-Hexynyl)-5-pregnen-3,20-diol
The XLogP value of 6.5 indicates that 20-(1-Hexynyl)-5-pregnen-3,20-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 20-(1-Hexynyl)-5-pregnen-3,20-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 20-(1-Hexynyl)-5-pregnen-3,20-diol has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 20-(1-Hexynyl)-5-pregnen-3,20-diol?
The CAS number of 20-(1-Hexynyl)-5-pregnen-3,20-diol is 92791-19-0.
What is the molecular formula of 20-(1-Hexynyl)-5-pregnen-3,20-diol?
The molecular formula of 20-(1-Hexynyl)-5-pregnen-3,20-diol is C27H42O2.
What is the molecular weight of 20-(1-Hexynyl)-5-pregnen-3,20-diol?
The molecular weight of 20-(1-Hexynyl)-5-pregnen-3,20-diol is 398.32 g/mol.
Where can I buy 20-(1-Hexynyl)-5-pregnen-3,20-diol?
You can request a quote for 20-(1-Hexynyl)-5-pregnen-3,20-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 20-(1-Hexynyl)-5-pregnen-3,20-diol?
Yes, KEHONG BIO provides custom synthesis services for 20-(1-Hexynyl)-5-pregnen-3,20-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.