A3597/0152410
TL;DR: A3597/0152410 (CAS 680594-81-4) is a chemical compound with molecular formula C11H11F3N2O3 and molecular weight 276.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-4,6-dimethyl-1H-pyridin-2-one
Also Known As: A3597/0152410, (3E)-3-[5-hydroxy-5-(trifluoromethyl)-1,2-oxazolidin-3-ylidene]-4,6-dimethylpyridin-2-one, (3Z)-3-[5-hydroxy-5-(trifluoromethyl)-1,2-oxazolidin-3-ylidene]-4,6-dimethylpyridin-2-one, 3-(5-hydroxy-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)-4,6-dimethylpyridin-2(1H)-one, 3-[5-hydroxy-5-(trifluoromethyl)-1,2-oxazolidin-3-ylidene]-4,6-dimethylpyridin-2-one
| Molecular Formula | C11H11F3N2O3 |
|---|---|
| Molecular Weight | 276.07 g/mol |
| LogP | 1.36704 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 276.07217 |
| Heavy Atoms | 19 |
| Complexity | 606.1835 |
Chemical Identifiers
| CAS Number | 680594-81-4 |
|---|---|
| SMILES | CC1=CC(=C(C(=O)N1)C2=NOC(C2)(C(F)(F)F)O)C |
Product Overview
A3597/0152410 (CAS 680594-81-4), with molecular formula C11H11F3N2O3 and molecular weight 276.07 g/mol. IUPAC: 3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-4,6-dimethyl-1H-pyridin-2-one.
Chemical Property Profile of A3597/0152410
Property Insights of A3597/0152410
The XLogP value of 1.36704 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3597/0152410. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for A3597/0152410. Following Lipinski's Rule of Five, A3597/0152410 has 2 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 A3597/0152410?
The CAS number of A3597/0152410 is 680594-81-4.
What is the molecular formula of A3597/0152410?
The molecular formula of A3597/0152410 is C11H11F3N2O3.
What is the molecular weight of A3597/0152410?
The molecular weight of A3597/0152410 is 276.07 g/mol.
Where can I buy A3597/0152410?
You can request a quote for A3597/0152410 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3597/0152410?
Yes, KEHONG BIO provides custom synthesis services for A3597/0152410 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.