J1.061.721I
TL;DR: J1.061.721I (CAS 212615-87-7) is a chemical compound with molecular formula C8H12F3NO3 and molecular weight 227.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-hydroxy-2-methylpropan-2-yl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
Also Known As: J1.061.721I, 3-(1-hydroxy-2-methylpropan-2-yl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-ol, A2721/0115601, 5-(Trifluoromethyl)-3-(1,1-dimethyl-2-hydroxyethyl)-2-isoxazoline-5-ol, 3-(1-hydroxy-2-methylpropan-2-yl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-5-ol
| Molecular Formula | C8H12F3NO3 |
|---|---|
| Molecular Weight | 227.08 g/mol |
| LogP | 1.0321 |
| Topological Polar Surface Area | 62.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 227.07693 |
| Heavy Atoms | 15 |
| Complexity | 287.3467 |
Chemical Identifiers
| CAS Number | 212615-87-7 |
|---|---|
| SMILES | CC(C)(CO)C1=NOC(C1)(C(F)(F)F)O |
Product Overview
J1.061.721I (CAS 212615-87-7), with molecular formula C8H12F3NO3 and molecular weight 227.08 g/mol. IUPAC: 3-(1-hydroxy-2-methylpropan-2-yl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol.
Chemical Property Profile of J1.061.721I
Property Insights of J1.061.721I
The XLogP value of 1.0321 suggests moderate lipophilicity, balancing water solubility and membrane permeability for J1.061.721I. The TPSA of 62.05 Ų falls within the moderate polarity range, balancing permeability and solubility for J1.061.721I. Following Lipinski's Rule of Five, J1.061.721I 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 J1.061.721I?
The CAS number of J1.061.721I is 212615-87-7.
What is the molecular formula of J1.061.721I?
The molecular formula of J1.061.721I is C8H12F3NO3.
What is the molecular weight of J1.061.721I?
The molecular weight of J1.061.721I is 227.08 g/mol.
Where can I buy J1.061.721I?
You can request a quote for J1.061.721I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J1.061.721I?
Yes, KEHONG BIO provides custom synthesis services for J1.061.721I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.