庚酸雄甾醇酮
TL;DR: 庚酸雄甾醇酮 (CAS 33776-88-4) is a chemical compound with molecular formula C23H23F4NO3 and molecular weight 437.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
庚酸雄甾醇酮
3-[(2S)-4-cyclopropyl-1,1,1-trifluoro-2-[(2-fluoro-6-methoxyphenyl)methoxy]but-3-yn-2-yl]-5-ethyl-6-methyl-1H-pyridin-2-one
Also Known As: 2(1H)-Pyridinone, 3-(3-cyclopropyl-1-((2-fluoro-6-methoxyphenyl)methoxy)-1-(trifluoromethyl)-2-propynyl)-5-ethyl-6-methyl-, 3-((1S)-3-Cyclopropyl-1-((6-fluoro-2-methoxyphenyl)methoxy)-1-(trifluoromethyl)prop-2-ynyl)-5-ethyl-6-methylhydropyridin-2-one, 3-{(2s)-4-cyclopropyl-1,1,1-trifluoro-2-[(2-fluoro-6-methoxybenzyl)oxy]but-3-yn-2-yl}-5-ethyl-6-methylpyridin-2(1h)-one, [1-(2,2,2-trifluoro-ethyl)-piperidin-4-yl]-carbamic acid tert-butyl ester, 3-[(2S)-4-cyclopropyl-1,1,1-trifluoro-2-[(2-fluoro-6-methoxyphenyl)methoxy]but-3-yn-2-yl]-5-ethyl-6-methyl-1H-pyridin-2-one
| Molecular Formula | C23H23F4NO3 |
|---|---|
| Molecular Weight | 437.16 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 437.1614 |
| Heavy Atoms | 31 |
| Complexity | 831.0 |
Chemical Identifiers
| CAS Number | 33776-88-4 |
|---|---|
| SMILES | CCC1=C(NC(=O)C(=C1)[C@@](C#CC2CC2)(C(F)(F)F)OCC3=C(C=CC=C3F)OC)C |
| InChIKey | OFTSPHWPCJFQCN-QFIPXVFZSA-N |
Product Overview
庚酸雄甾醇酮 (CAS 33776-88-4), with molecular formula C23H23F4NO3 and molecular weight 437.16 g/mol. IUPAC: 3-[(2S)-4-cyclopropyl-1,1,1-trifluoro-2-[(2-fluoro-6-methoxyphenyl)methoxy]but-3-yn-2-yl]-5-ethyl-6-methyl-1H-pyridin-2-one.
Chemical Property Profile of 庚酸雄甾醇酮
Property Insights of 庚酸雄甾醇酮
The XLogP value of 4.5 indicates that 庚酸雄甾醇酮 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.6 Ų, 庚酸雄甾醇酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 庚酸雄甾醇酮 has 1 hydrogen bond donor(s) and 7 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 庚酸雄甾醇酮?
The CAS number of 庚酸雄甾醇酮 is 33776-88-4.
What is the molecular formula of 庚酸雄甾醇酮?
The molecular formula of 庚酸雄甾醇酮 is C23H23F4NO3.
What is the molecular weight of 庚酸雄甾醇酮?
The molecular weight of 庚酸雄甾醇酮 is 437.16 g/mol.
Where can I buy 庚酸雄甾醇酮?
You can request a quote for 庚酸雄甾醇酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 庚酸雄甾醇酮?
Yes, KEHONG BIO provides custom synthesis services for 庚酸雄甾醇酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.