Benzeneacetic acid, 4-(5-phenyl-3-isoxazolyl)-
TL;DR: Benzeneacetic acid, 4-(5-phenyl-3-isoxazolyl)- (CAS 78868-39-0) is a chemical compound with molecular formula C17H13NO3 and molecular weight 279.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(5-phenyl-1,2-oxazol-3-yl)phenyl]acetic acid
Also Known As: Benzeneacetic acid, 4-(5-phenyl-3-isoxazolyl)-, 4-(5-Phenyl-3-isoxazolyl)benzeneacetic acid, [4-(5-Phenyl-1,2-oxazol-3-yl)phenyl]acetic acid, 2-[4-(5-phenyl-1,2-oxazol-3-yl)phenyl]acetic acid, BRN 4484122
| Molecular Formula | C17H13NO3 |
|---|---|
| Molecular Weight | 279.09 g/mol |
| LogP | 3.6357 |
| Topological Polar Surface Area | 63.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 279.08954 |
| Heavy Atoms | 21 |
| Complexity | 745.2211 |
Chemical Identifiers
| CAS Number | 78868-39-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC(=NO2)C3=CC=C(C=C3)CC(=O)O |
Product Overview
Benzeneacetic acid, 4-(5-phenyl-3-isoxazolyl)- (CAS 78868-39-0), with molecular formula C17H13NO3 and molecular weight 279.09 g/mol. IUPAC: 2-[4-(5-phenyl-1,2-oxazol-3-yl)phenyl]acetic acid.
Chemical Property Profile of Benzeneacetic acid, 4-(5-phenyl-3-isoxazolyl)-
Property Insights of Benzeneacetic acid, 4-(5-phenyl-3-isoxazolyl)-
The XLogP value of 3.6357 indicates that Benzeneacetic acid, 4-(5-phenyl-3-isoxazolyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.33 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzeneacetic acid, 4-(5-phenyl-3-isoxazolyl)-. Following Lipinski's Rule of Five, Benzeneacetic acid, 4-(5-phenyl-3-isoxazolyl)- 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 Benzeneacetic acid, 4-(5-phenyl-3-isoxazolyl)-?
The CAS number of Benzeneacetic acid, 4-(5-phenyl-3-isoxazolyl)- is 78868-39-0.
What is the molecular formula of Benzeneacetic acid, 4-(5-phenyl-3-isoxazolyl)-?
The molecular formula of Benzeneacetic acid, 4-(5-phenyl-3-isoxazolyl)- is C17H13NO3.
What is the molecular weight of Benzeneacetic acid, 4-(5-phenyl-3-isoxazolyl)-?
The molecular weight of Benzeneacetic acid, 4-(5-phenyl-3-isoxazolyl)- is 279.09 g/mol.
Where can I buy Benzeneacetic acid, 4-(5-phenyl-3-isoxazolyl)-?
You can request a quote for Benzeneacetic acid, 4-(5-phenyl-3-isoxazolyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetic acid, 4-(5-phenyl-3-isoxazolyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, 4-(5-phenyl-3-isoxazolyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.