17-(Acetyloxy)-19-norpregn-4-en-20-yn-3-one
TL;DR: 17-(Acetyloxy)-19-norpregn-4-en-20-yn-3-one (CAS 38673-38-0) is a chemical compound with molecular formula C22H28O3 and molecular weight 340.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8R,9S,10R,13S,14S,17S)-17-ethynyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
Also Known As: Aygestin, Norethindrone acetate, Norethisterone acetate, Milligynon, Miniphase
| Molecular Formula | C22H28O3 |
|---|---|
| Molecular Weight | 340.20 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 340.20386 |
| Heavy Atoms | 25 |
| Complexity | 695.0 |
Chemical Identifiers
| CAS Number | 38673-38-0 |
|---|---|
| SMILES | CC(=O)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@H]34)C)C#C |
| InChIKey | IMONTRJLAWHYGT-REGVOWLASA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
17-(Acetyloxy)-19-norpregn-4-en-20-yn-3-one (CAS 38673-38-0), with molecular formula C22H28O3 and molecular weight 340.20 g/mol. IUPAC: [(8R,9S,10R,13S,14S,17S)-17-ethynyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate.
Chemical Property Profile of 17-(Acetyloxy)-19-norpregn-4-en-20-yn-3-one
Property Insights of 17-(Acetyloxy)-19-norpregn-4-en-20-yn-3-one
The XLogP value of 3.5 indicates that 17-(Acetyloxy)-19-norpregn-4-en-20-yn-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, 17-(Acetyloxy)-19-norpregn-4-en-20-yn-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 17-(Acetyloxy)-19-norpregn-4-en-20-yn-3-one has 0 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-(Acetyloxy)-19-norpregn-4-en-20-yn-3-one?
The CAS number of 17-(Acetyloxy)-19-norpregn-4-en-20-yn-3-one is 38673-38-0.
What is the molecular formula of 17-(Acetyloxy)-19-norpregn-4-en-20-yn-3-one?
The molecular formula of 17-(Acetyloxy)-19-norpregn-4-en-20-yn-3-one is C22H28O3.
What is the molecular weight of 17-(Acetyloxy)-19-norpregn-4-en-20-yn-3-one?
The molecular weight of 17-(Acetyloxy)-19-norpregn-4-en-20-yn-3-one is 340.20 g/mol.
Where can I buy 17-(Acetyloxy)-19-norpregn-4-en-20-yn-3-one?
You can request a quote for 17-(Acetyloxy)-19-norpregn-4-en-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-(Acetyloxy)-19-norpregn-4-en-20-yn-3-one?
Yes, KEHONG BIO provides custom synthesis services for 17-(Acetyloxy)-19-norpregn-4-en-20-yn-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.