4,5-Dihydro-5-hydroxy-3-methyl-5-(trifluoromethyl)isoxazole
TL;DR: 4,5-Dihydro-5-hydroxy-3-methyl-5-(trifluoromethyl)isoxazole (CAS 51479-84-6) is a chemical compound with molecular formula C5H6F3NO2 and molecular weight 169.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
Also Known As: 4-ETHOXYCINNAMICACID, 3-methyl-5-(trifluoromethyl)-4,5-dihydroisoxazol-5-ol, 3-methyl-5-(trifluoromethyl)-4H-isoxazol-5-ol, 4,5-DIHYDRO-5-HYDROXY-3-METHYL-5-(TRIFLUOROMETHYL)ISOXAZOLE, 3-methyl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
| Molecular Formula | C5H6F3NO2 |
|---|---|
| Molecular Weight | 169.04 g/mol |
| LogP | 1.0335 |
| Topological Polar Surface Area | 41.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 169.03506 |
| Heavy Atoms | 11 |
| Complexity | 200.39444 |
Chemical Identifiers
| CAS Number | 51479-84-6 |
|---|---|
| SMILES | CC1=NOC(C1)(C(F)(F)F)O |
Product Overview
4,5-Dihydro-5-hydroxy-3-methyl-5-(trifluoromethyl)isoxazole (CAS 51479-84-6), with molecular formula C5H6F3NO2 and molecular weight 169.04 g/mol. IUPAC: 3-methyl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol.
Chemical Property Profile of 4,5-Dihydro-5-hydroxy-3-methyl-5-(trifluoromethyl)isoxazole
Property Insights of 4,5-Dihydro-5-hydroxy-3-methyl-5-(trifluoromethyl)isoxazole
The XLogP value of 1.0335 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Dihydro-5-hydroxy-3-methyl-5-(trifluoromethyl)isoxazole. With a topological polar surface area (TPSA) of 41.82 Ų, 4,5-Dihydro-5-hydroxy-3-methyl-5-(trifluoromethyl)isoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-Dihydro-5-hydroxy-3-methyl-5-(trifluoromethyl)isoxazole has 1 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 4,5-Dihydro-5-hydroxy-3-methyl-5-(trifluoromethyl)isoxazole?
The CAS number of 4,5-Dihydro-5-hydroxy-3-methyl-5-(trifluoromethyl)isoxazole is 51479-84-6.
What is the molecular formula of 4,5-Dihydro-5-hydroxy-3-methyl-5-(trifluoromethyl)isoxazole?
The molecular formula of 4,5-Dihydro-5-hydroxy-3-methyl-5-(trifluoromethyl)isoxazole is C5H6F3NO2.
What is the molecular weight of 4,5-Dihydro-5-hydroxy-3-methyl-5-(trifluoromethyl)isoxazole?
The molecular weight of 4,5-Dihydro-5-hydroxy-3-methyl-5-(trifluoromethyl)isoxazole is 169.04 g/mol.
Where can I buy 4,5-Dihydro-5-hydroxy-3-methyl-5-(trifluoromethyl)isoxazole?
You can request a quote for 4,5-Dihydro-5-hydroxy-3-methyl-5-(trifluoromethyl)isoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Dihydro-5-hydroxy-3-methyl-5-(trifluoromethyl)isoxazole?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dihydro-5-hydroxy-3-methyl-5-(trifluoromethyl)isoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.