3-Hydroxy-19-norpregn-4-en-20-yn-17-yl acetate
TL;DR: 3-Hydroxy-19-norpregn-4-en-20-yn-17-yl acetate (CAS 2061-46-3) is a chemical compound with molecular formula C22H30O3 and molecular weight 342.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,8R,9S,10R,13S,14S)-17-ethynyl-3-hydroxy-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
Also Known As: Norethynodiol 17-monoacetate, SC 12222, 3-Hydroxy-19-norpregn-4-en-20-yn-17-yl acetate, (17xi)-3beta-Hydroxy-19-norpregn-4-en-20-yn-17-yl acetate, 19-Nor-17-alpha-pregn-4-en-20-yne-3-beta,17-diol, 17-acetate
| Molecular Formula | C22H30O3 |
|---|---|
| Molecular Weight | 342.22 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 342.21948 |
| Heavy Atoms | 25 |
| Complexity | 655.0 |
Chemical Identifiers
| CAS Number | 2061-46-3 |
|---|---|
| SMILES | CC(=O)OC1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C[C@H](CC[C@H]34)O)C)C#C |
| InChIKey | WJCWCFAFTXVJQT-PMJAAYJESA-N |
Product Overview
3-Hydroxy-19-norpregn-4-en-20-yn-17-yl acetate (CAS 2061-46-3), with molecular formula C22H30O3 and molecular weight 342.22 g/mol. IUPAC: [(3S,8R,9S,10R,13S,14S)-17-ethynyl-3-hydroxy-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate.
Chemical Property Profile of 3-Hydroxy-19-norpregn-4-en-20-yn-17-yl acetate
Property Insights of 3-Hydroxy-19-norpregn-4-en-20-yn-17-yl acetate
The XLogP value of 3.3 indicates that 3-Hydroxy-19-norpregn-4-en-20-yn-17-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 3-Hydroxy-19-norpregn-4-en-20-yn-17-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxy-19-norpregn-4-en-20-yn-17-yl acetate 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 3-Hydroxy-19-norpregn-4-en-20-yn-17-yl acetate?
The CAS number of 3-Hydroxy-19-norpregn-4-en-20-yn-17-yl acetate is 2061-46-3.
What is the molecular formula of 3-Hydroxy-19-norpregn-4-en-20-yn-17-yl acetate?
The molecular formula of 3-Hydroxy-19-norpregn-4-en-20-yn-17-yl acetate is C22H30O3.
What is the molecular weight of 3-Hydroxy-19-norpregn-4-en-20-yn-17-yl acetate?
The molecular weight of 3-Hydroxy-19-norpregn-4-en-20-yn-17-yl acetate is 342.22 g/mol.
Where can I buy 3-Hydroxy-19-norpregn-4-en-20-yn-17-yl acetate?
You can request a quote for 3-Hydroxy-19-norpregn-4-en-20-yn-17-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-19-norpregn-4-en-20-yn-17-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-19-norpregn-4-en-20-yn-17-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.