5-Benzoxazoleacetic acid, alpha-methyl-2-(alpha,alpha,alpha-trifluoro-p-tolyl)-
TL;DR: 5-Benzoxazoleacetic acid, alpha-methyl-2-(alpha,alpha,alpha-trifluoro-p-tolyl)- (CAS 51234-73-2) is a chemical compound with molecular formula C17H12F3NO3 and molecular weight 335.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]propanoic acid
Also Known As: alpha-Methyl-2-(4-trifluoromethylphenyl)-5-benzoxazoleacetic acid, 5-BENZOXAZOLEACETIC ACID, alpha-METHYL-2-(alpha,alpha,alpha-TRIFLUORO-p-TOLYL)-, 2-{2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl}propanoic acid, alpha-Methyl-2-[4-(trifluoromethyl)phenyl]-5-benzoxazoleacetic acid, 2-[2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]propanoic acid
| Molecular Formula | C17H12F3NO3 |
|---|---|
| Molecular Weight | 335.08 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 63.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 335.07693 |
| Heavy Atoms | 24 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 51234-73-2 |
|---|---|
| SMILES | CC(C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)C(F)(F)F)C(=O)O |
| InChIKey | CGOUFDAVNKYPMT-UHFFFAOYSA-N |
Product Overview
5-Benzoxazoleacetic acid, alpha-methyl-2-(alpha,alpha,alpha-trifluoro-p-tolyl)- (CAS 51234-73-2), with molecular formula C17H12F3NO3 and molecular weight 335.08 g/mol. IUPAC: 2-[2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]propanoic acid.
Chemical Property Profile of 5-Benzoxazoleacetic acid, alpha-methyl-2-(alpha,alpha,alpha-trifluoro-p-tolyl)-
Property Insights of 5-Benzoxazoleacetic acid, alpha-methyl-2-(alpha,alpha,alpha-trifluoro-p-tolyl)-
The XLogP value of 4.3 indicates that 5-Benzoxazoleacetic acid, alpha-methyl-2-(alpha,alpha,alpha-trifluoro-p-tolyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Benzoxazoleacetic acid, alpha-methyl-2-(alpha,alpha,alpha-trifluoro-p-tolyl)-. Following Lipinski's Rule of Five, 5-Benzoxazoleacetic acid, alpha-methyl-2-(alpha,alpha,alpha-trifluoro-p-tolyl)- 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 5-Benzoxazoleacetic acid, alpha-methyl-2-(alpha,alpha,alpha-trifluoro-p-tolyl)-?
The CAS number of 5-Benzoxazoleacetic acid, alpha-methyl-2-(alpha,alpha,alpha-trifluoro-p-tolyl)- is 51234-73-2.
What is the molecular formula of 5-Benzoxazoleacetic acid, alpha-methyl-2-(alpha,alpha,alpha-trifluoro-p-tolyl)-?
The molecular formula of 5-Benzoxazoleacetic acid, alpha-methyl-2-(alpha,alpha,alpha-trifluoro-p-tolyl)- is C17H12F3NO3.
What is the molecular weight of 5-Benzoxazoleacetic acid, alpha-methyl-2-(alpha,alpha,alpha-trifluoro-p-tolyl)-?
The molecular weight of 5-Benzoxazoleacetic acid, alpha-methyl-2-(alpha,alpha,alpha-trifluoro-p-tolyl)- is 335.08 g/mol.
Where can I buy 5-Benzoxazoleacetic acid, alpha-methyl-2-(alpha,alpha,alpha-trifluoro-p-tolyl)-?
You can request a quote for 5-Benzoxazoleacetic acid, alpha-methyl-2-(alpha,alpha,alpha-trifluoro-p-tolyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Benzoxazoleacetic acid, alpha-methyl-2-(alpha,alpha,alpha-trifluoro-p-tolyl)-?
Yes, KEHONG BIO provides custom synthesis services for 5-Benzoxazoleacetic acid, alpha-methyl-2-(alpha,alpha,alpha-trifluoro-p-tolyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.