5(2H)-Oxazolone, 4-(phenylmethyl)-2-(trifluoromethyl)-
TL;DR: 5(2H)-Oxazolone, 4-(phenylmethyl)-2-(trifluoromethyl)- (CAS 2261-95-2) is a chemical compound with molecular formula C11H8F3NO2 and molecular weight 243.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-2-(trifluoromethyl)-2H-1,3-oxazol-5-one
Also Known As: 4-Benzyl-2-trifluormethyloxazolin-5-on, 5(2H)-Oxazolone, 4-(phenylmethyl)-2-(trifluoromethyl)-, 4-benzyl-2-(trifluoromethyl)oxazol-5(2H)-one, Phenylalanine, 2-trifluoromethyloxazolinone deriv., 4-benzyl-2-(trifluoromethyl)-2H-1,3-oxazol-5-one
| Molecular Formula | C11H8F3NO2 |
|---|---|
| Molecular Weight | 243.05 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 243.05072 |
| Heavy Atoms | 17 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 2261-95-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=NC(OC2=O)C(F)(F)F |
| InChIKey | ZAOAMTIDKBRQDW-UHFFFAOYSA-N |
Product Overview
5(2H)-Oxazolone, 4-(phenylmethyl)-2-(trifluoromethyl)- (CAS 2261-95-2), with molecular formula C11H8F3NO2 and molecular weight 243.05 g/mol. IUPAC: 4-benzyl-2-(trifluoromethyl)-2H-1,3-oxazol-5-one.
Chemical Property Profile of 5(2H)-Oxazolone, 4-(phenylmethyl)-2-(trifluoromethyl)-
Property Insights of 5(2H)-Oxazolone, 4-(phenylmethyl)-2-(trifluoromethyl)-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5(2H)-Oxazolone, 4-(phenylmethyl)-2-(trifluoromethyl)-. With a topological polar surface area (TPSA) of 38.7 Ų, 5(2H)-Oxazolone, 4-(phenylmethyl)-2-(trifluoromethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5(2H)-Oxazolone, 4-(phenylmethyl)-2-(trifluoromethyl)- has 0 hydrogen bond donor(s) and 6 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 5(2H)-Oxazolone, 4-(phenylmethyl)-2-(trifluoromethyl)-?
The CAS number of 5(2H)-Oxazolone, 4-(phenylmethyl)-2-(trifluoromethyl)- is 2261-95-2.
What is the molecular formula of 5(2H)-Oxazolone, 4-(phenylmethyl)-2-(trifluoromethyl)-?
The molecular formula of 5(2H)-Oxazolone, 4-(phenylmethyl)-2-(trifluoromethyl)- is C11H8F3NO2.
What is the molecular weight of 5(2H)-Oxazolone, 4-(phenylmethyl)-2-(trifluoromethyl)-?
The molecular weight of 5(2H)-Oxazolone, 4-(phenylmethyl)-2-(trifluoromethyl)- is 243.05 g/mol.
Where can I buy 5(2H)-Oxazolone, 4-(phenylmethyl)-2-(trifluoromethyl)-?
You can request a quote for 5(2H)-Oxazolone, 4-(phenylmethyl)-2-(trifluoromethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5(2H)-Oxazolone, 4-(phenylmethyl)-2-(trifluoromethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 5(2H)-Oxazolone, 4-(phenylmethyl)-2-(trifluoromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.