(17xi)-17-Hydroxy-3-oxopregn-4-en-20-yn-19-yl acetate
TL;DR: (17xi)-17-Hydroxy-3-oxopregn-4-en-20-yn-19-yl acetate (CAS 876-37-9) is a chemical compound with molecular formula C23H30O4 and molecular weight 370.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8R,9S,10S,13S,14S)-17-ethynyl-17-hydroxy-13-methyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-10-yl]methyl acetate
Also Known As: Cid 134066, KST-1A8677, (17xi)-17-hydroxy-3-oxopregn-4-en-20-yn-19-yl acetate, [(8R,9S,10S,13S,14S)-17-ethynyl-17-hydroxy-13-methyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-10-yl]methyl acetate
| Molecular Formula | C23H30O4 |
|---|---|
| Molecular Weight | 370.21 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 370.21442 |
| Heavy Atoms | 27 |
| Complexity | 758.0 |
Chemical Identifiers
| CAS Number | 876-37-9 |
|---|---|
| SMILES | CC(=O)OC[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4(C#C)O)C |
| InChIKey | OEPHKFCKGBCXMV-MOKCFSAZSA-N |
Product Overview
(17xi)-17-Hydroxy-3-oxopregn-4-en-20-yn-19-yl acetate (CAS 876-37-9), with molecular formula C23H30O4 and molecular weight 370.21 g/mol. IUPAC: [(8R,9S,10S,13S,14S)-17-ethynyl-17-hydroxy-13-methyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-10-yl]methyl acetate.
Chemical Property Profile of (17xi)-17-Hydroxy-3-oxopregn-4-en-20-yn-19-yl acetate
Property Insights of (17xi)-17-Hydroxy-3-oxopregn-4-en-20-yn-19-yl acetate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (17xi)-17-Hydroxy-3-oxopregn-4-en-20-yn-19-yl acetate. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (17xi)-17-Hydroxy-3-oxopregn-4-en-20-yn-19-yl acetate. Following Lipinski's Rule of Five, (17xi)-17-Hydroxy-3-oxopregn-4-en-20-yn-19-yl acetate has 1 hydrogen bond donor(s) and 4 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 (17xi)-17-Hydroxy-3-oxopregn-4-en-20-yn-19-yl acetate?
The CAS number of (17xi)-17-Hydroxy-3-oxopregn-4-en-20-yn-19-yl acetate is 876-37-9.
What is the molecular formula of (17xi)-17-Hydroxy-3-oxopregn-4-en-20-yn-19-yl acetate?
The molecular formula of (17xi)-17-Hydroxy-3-oxopregn-4-en-20-yn-19-yl acetate is C23H30O4.
What is the molecular weight of (17xi)-17-Hydroxy-3-oxopregn-4-en-20-yn-19-yl acetate?
The molecular weight of (17xi)-17-Hydroxy-3-oxopregn-4-en-20-yn-19-yl acetate is 370.21 g/mol.
Where can I buy (17xi)-17-Hydroxy-3-oxopregn-4-en-20-yn-19-yl acetate?
You can request a quote for (17xi)-17-Hydroxy-3-oxopregn-4-en-20-yn-19-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (17xi)-17-Hydroxy-3-oxopregn-4-en-20-yn-19-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for (17xi)-17-Hydroxy-3-oxopregn-4-en-20-yn-19-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.