5-Benzoxazoleacetic acid, 2-(3-fluorophenyl)-alpha-methyl-
TL;DR: 5-Benzoxazoleacetic acid, 2-(3-fluorophenyl)-alpha-methyl- (CAS 51234-75-4) is a chemical compound with molecular formula C16H12FNO3 and molecular weight 285.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]propanoic acid
Also Known As: 2-(3-Fluorophenyl)-alpha-methyl-5-benzoxazoleacetic acid, 5-BENZOXAZOLEACETIC ACID, 2-(3-FLUOROPHENYL)-alpha-METHYL-, 2-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]propanoic acid, 5-Benzoxazoleacetic acid, 2-(3-fluorophenyl)-.alpha.-methyl-, BRN 1085071
| Molecular Formula | C16H12FNO3 |
|---|---|
| Molecular Weight | 285.08 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 63.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 285.0801 |
| Heavy Atoms | 21 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 51234-75-4 |
|---|---|
| SMILES | CC(C1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)F)C(=O)O |
| InChIKey | QPJRVPQZLARJGF-UHFFFAOYSA-N |
Product Overview
5-Benzoxazoleacetic acid, 2-(3-fluorophenyl)-alpha-methyl- (CAS 51234-75-4), with molecular formula C16H12FNO3 and molecular weight 285.08 g/mol. IUPAC: 2-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]propanoic acid.
Chemical Property Profile of 5-Benzoxazoleacetic acid, 2-(3-fluorophenyl)-alpha-methyl-
Property Insights of 5-Benzoxazoleacetic acid, 2-(3-fluorophenyl)-alpha-methyl-
The XLogP value of 3.6 indicates that 5-Benzoxazoleacetic acid, 2-(3-fluorophenyl)-alpha-methyl- 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, 2-(3-fluorophenyl)-alpha-methyl-. Following Lipinski's Rule of Five, 5-Benzoxazoleacetic acid, 2-(3-fluorophenyl)-alpha-methyl- has 1 hydrogen bond donor(s) and 5 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, 2-(3-fluorophenyl)-alpha-methyl-?
The CAS number of 5-Benzoxazoleacetic acid, 2-(3-fluorophenyl)-alpha-methyl- is 51234-75-4.
What is the molecular formula of 5-Benzoxazoleacetic acid, 2-(3-fluorophenyl)-alpha-methyl-?
The molecular formula of 5-Benzoxazoleacetic acid, 2-(3-fluorophenyl)-alpha-methyl- is C16H12FNO3.
What is the molecular weight of 5-Benzoxazoleacetic acid, 2-(3-fluorophenyl)-alpha-methyl-?
The molecular weight of 5-Benzoxazoleacetic acid, 2-(3-fluorophenyl)-alpha-methyl- is 285.08 g/mol.
Where can I buy 5-Benzoxazoleacetic acid, 2-(3-fluorophenyl)-alpha-methyl-?
You can request a quote for 5-Benzoxazoleacetic acid, 2-(3-fluorophenyl)-alpha-methyl- 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, 2-(3-fluorophenyl)-alpha-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 5-Benzoxazoleacetic acid, 2-(3-fluorophenyl)-alpha-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.