17-Hydroxy-4,5-epoxy-19-norpregn-20-yn-3-one
TL;DR: 17-Hydroxy-4,5-epoxy-19-norpregn-20-yn-3-one (CAS 51267-63-1) is a chemical compound with molecular formula C20H26O3 and molecular weight 314.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2R,6S,11R,12S,16S)-15-ethynyl-15-hydroxy-16-methyl-7-oxapentacyclo[9.7.0.02,8.06,8.012,16]octadecan-5-one
Also Known As: Norethisterone 4beta,5-oxide, 17-Hydroxy-4,5-epoxy-19-norpregn-20-yn-3-one, (17xi)-17-Hydroxy-4alpha-4,5-epoxy-19-norpregn-20-yn-3-one, (1S,2R,6S,11R,12S,16S)-15-Ethynyl-15-hydroxy-16-methyl-7-oxapentacyclo[9.7.0.02,8.06,8.012,16]octadecan-5-one
| Molecular Formula | C20H26O3 |
|---|---|
| Molecular Weight | 314.19 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 314.1882 |
| Heavy Atoms | 23 |
| Complexity | 632.0 |
Chemical Identifiers
| CAS Number | 51267-63-1 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2(C#C)O)CCC45[C@@H]3CCC(=O)[C@H]4O5 |
| InChIKey | KFLSFLKSZVHGAZ-MXKUIYOCSA-N |
Product Overview
17-Hydroxy-4,5-epoxy-19-norpregn-20-yn-3-one (CAS 51267-63-1), with molecular formula C20H26O3 and molecular weight 314.19 g/mol. IUPAC: (1S,2R,6S,11R,12S,16S)-15-ethynyl-15-hydroxy-16-methyl-7-oxapentacyclo[9.7.0.02,8.06,8.012,16]octadecan-5-one.
Chemical Property Profile of 17-Hydroxy-4,5-epoxy-19-norpregn-20-yn-3-one
Property Insights of 17-Hydroxy-4,5-epoxy-19-norpregn-20-yn-3-one
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 17-Hydroxy-4,5-epoxy-19-norpregn-20-yn-3-one. With a topological polar surface area (TPSA) of 49.8 Ų, 17-Hydroxy-4,5-epoxy-19-norpregn-20-yn-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 17-Hydroxy-4,5-epoxy-19-norpregn-20-yn-3-one has 1 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 17-Hydroxy-4,5-epoxy-19-norpregn-20-yn-3-one?
The CAS number of 17-Hydroxy-4,5-epoxy-19-norpregn-20-yn-3-one is 51267-63-1.
What is the molecular formula of 17-Hydroxy-4,5-epoxy-19-norpregn-20-yn-3-one?
The molecular formula of 17-Hydroxy-4,5-epoxy-19-norpregn-20-yn-3-one is C20H26O3.
What is the molecular weight of 17-Hydroxy-4,5-epoxy-19-norpregn-20-yn-3-one?
The molecular weight of 17-Hydroxy-4,5-epoxy-19-norpregn-20-yn-3-one is 314.19 g/mol.
Where can I buy 17-Hydroxy-4,5-epoxy-19-norpregn-20-yn-3-one?
You can request a quote for 17-Hydroxy-4,5-epoxy-19-norpregn-20-yn-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-Hydroxy-4,5-epoxy-19-norpregn-20-yn-3-one?
Yes, KEHONG BIO provides custom synthesis services for 17-Hydroxy-4,5-epoxy-19-norpregn-20-yn-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.