Pregn-4-en-20-yn-3-one,17-(acetyloxy)-, (17a)-(9CI)
TL;DR: Pregn-4-en-20-yn-3-one,17-(acetyloxy)-, (17a)-(9CI) (CAS 2542-26-9) is a chemical compound with molecular formula C23H30O3 and molecular weight 354.22 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-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
Also Known As: 17-Acetoxypregna-4-ene-20-yne-3-one, J2.432.882A, Pregn-4-en-20-yn-3-one,17-(acetyloxy)-, (17a)- (9CI), (1S,3aS,3bR,9aR,9bS,11aS)-1-ethynyl-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl acetate, [(8R,9S,10R,13S,14S,17S)-17-ethynyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
| Molecular Formula | C23H30O3 |
|---|---|
| Molecular Weight | 354.22 g/mol |
| LogP | 4.4534 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 354.21948 |
| Heavy Atoms | 26 |
| Complexity | 728.22516 |
Chemical Identifiers
| CAS Number | 2542-26-9 |
|---|---|
| SMILES | CC(=O)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)C#C |
Product Overview
Pregn-4-en-20-yn-3-one,17-(acetyloxy)-, (17a)-(9CI) (CAS 2542-26-9), with molecular formula C23H30O3 and molecular weight 354.22 g/mol. IUPAC: [(8R,9S,10R,13S,14S,17S)-17-ethynyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate.
Chemical Property Profile of Pregn-4-en-20-yn-3-one,17-(acetyloxy)-, (17a)-(9CI)
Property Insights of Pregn-4-en-20-yn-3-one,17-(acetyloxy)-, (17a)-(9CI)
The XLogP value of 4.4534 indicates that Pregn-4-en-20-yn-3-one,17-(acetyloxy)-, (17a)-(9CI) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, Pregn-4-en-20-yn-3-one,17-(acetyloxy)-, (17a)-(9CI) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pregn-4-en-20-yn-3-one,17-(acetyloxy)-, (17a)-(9CI) 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 Pregn-4-en-20-yn-3-one,17-(acetyloxy)-, (17a)-(9CI)?
The CAS number of Pregn-4-en-20-yn-3-one,17-(acetyloxy)-, (17a)-(9CI) is 2542-26-9.
What is the molecular formula of Pregn-4-en-20-yn-3-one,17-(acetyloxy)-, (17a)-(9CI)?
The molecular formula of Pregn-4-en-20-yn-3-one,17-(acetyloxy)-, (17a)-(9CI) is C23H30O3.
What is the molecular weight of Pregn-4-en-20-yn-3-one,17-(acetyloxy)-, (17a)-(9CI)?
The molecular weight of Pregn-4-en-20-yn-3-one,17-(acetyloxy)-, (17a)-(9CI) is 354.22 g/mol.
Where can I buy Pregn-4-en-20-yn-3-one,17-(acetyloxy)-, (17a)-(9CI)?
You can request a quote for Pregn-4-en-20-yn-3-one,17-(acetyloxy)-, (17a)-(9CI) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pregn-4-en-20-yn-3-one,17-(acetyloxy)-, (17a)-(9CI)?
Yes, KEHONG BIO provides custom synthesis services for Pregn-4-en-20-yn-3-one,17-(acetyloxy)-, (17a)-(9CI) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.