19-Norpregn-20-yn-3-one, 5,17-dihydroxy-, (5beta,17alpha)-
TL;DR: 19-Norpregn-20-yn-3-one, 5,17-dihydroxy-, (5beta,17alpha)- (CAS 101409-95-4) is a chemical compound with molecular formula C20H28O3 and molecular weight 316.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5S,8R,9S,10R,13S,14S)-17-ethynyl-5,17-dihydroxy-13-methyl-2,4,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
Also Known As: Dhnpyo, 19-Norpregn-20-yn-3-one, 5,17-dihydroxy-, (5beta,17alpha)-, (5S,8R,9S,10R,13S,14S)-17-ethynyl-5,17-dihydroxy-13-methyl-2,4,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
| Molecular Formula | C20H28O3 |
|---|---|
| Molecular Weight | 316.20 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 316.20386 |
| Heavy Atoms | 23 |
| Complexity | 589.0 |
Chemical Identifiers
| CAS Number | 101409-95-4 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2(C#C)O)CC[C@]4([C@@H]3CCC(=O)C4)O |
| InChIKey | VZJYEIIXZOGNBJ-FBYNKPCYSA-N |
Product Overview
19-Norpregn-20-yn-3-one, 5,17-dihydroxy-, (5beta,17alpha)- (CAS 101409-95-4), with molecular formula C20H28O3 and molecular weight 316.20 g/mol. IUPAC: (5S,8R,9S,10R,13S,14S)-17-ethynyl-5,17-dihydroxy-13-methyl-2,4,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one.
Chemical Property Profile of 19-Norpregn-20-yn-3-one, 5,17-dihydroxy-, (5beta,17alpha)-
Property Insights of 19-Norpregn-20-yn-3-one, 5,17-dihydroxy-, (5beta,17alpha)-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 19-Norpregn-20-yn-3-one, 5,17-dihydroxy-, (5beta,17alpha)-. With a topological polar surface area (TPSA) of 57.5 Ų, 19-Norpregn-20-yn-3-one, 5,17-dihydroxy-, (5beta,17alpha)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 19-Norpregn-20-yn-3-one, 5,17-dihydroxy-, (5beta,17alpha)- has 2 hydrogen bond donor(s) and 3 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-Norpregn-20-yn-3-one, 5,17-dihydroxy-, (5beta,17alpha)-?
The CAS number of 19-Norpregn-20-yn-3-one, 5,17-dihydroxy-, (5beta,17alpha)- is 101409-95-4.
What is the molecular formula of 19-Norpregn-20-yn-3-one, 5,17-dihydroxy-, (5beta,17alpha)-?
The molecular formula of 19-Norpregn-20-yn-3-one, 5,17-dihydroxy-, (5beta,17alpha)- is C20H28O3.
What is the molecular weight of 19-Norpregn-20-yn-3-one, 5,17-dihydroxy-, (5beta,17alpha)-?
The molecular weight of 19-Norpregn-20-yn-3-one, 5,17-dihydroxy-, (5beta,17alpha)- is 316.20 g/mol.
Where can I buy 19-Norpregn-20-yn-3-one, 5,17-dihydroxy-, (5beta,17alpha)-?
You can request a quote for 19-Norpregn-20-yn-3-one, 5,17-dihydroxy-, (5beta,17alpha)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 19-Norpregn-20-yn-3-one, 5,17-dihydroxy-, (5beta,17alpha)-?
Yes, KEHONG BIO provides custom synthesis services for 19-Norpregn-20-yn-3-one, 5,17-dihydroxy-, (5beta,17alpha)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.