Benzeneacetic acid, 4-(5-(4-chlorophenyl)-3-isoxazolyl)-
TL;DR: Benzeneacetic acid, 4-(5-(4-chlorophenyl)-3-isoxazolyl)- (CAS 78868-40-3) is a chemical compound with molecular formula C17H12ClNO3 and molecular weight 313.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]phenyl]acetic acid
Also Known As: Benzeneacetic acid, 4-(5-(4-chlorophenyl)-3-isoxazolyl)-, 4-(5-p-Chlorophenylisoxazol-3-yl)phenylacetic acid, {4-[5-(4-Chlorophenyl)-1,2-oxazol-3-yl]phenyl}acetic acid, 2-[4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]phenyl]acetic acid, BRN 4504816
| Molecular Formula | C17H12ClNO3 |
|---|---|
| Molecular Weight | 313.05 g/mol |
| LogP | 4.2891 |
| Topological Polar Surface Area | 63.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.05057 |
| Heavy Atoms | 22 |
| Complexity | 791.5312 |
Chemical Identifiers
| CAS Number | 78868-40-3 |
|---|---|
| SMILES | C1=CC(=CC=C1CC(=O)O)C2=NOC(=C2)C3=CC=C(C=C3)Cl |
Product Overview
Benzeneacetic acid, 4-(5-(4-chlorophenyl)-3-isoxazolyl)- (CAS 78868-40-3), with molecular formula C17H12ClNO3 and molecular weight 313.05 g/mol. IUPAC: 2-[4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]phenyl]acetic acid.
Chemical Property Profile of Benzeneacetic acid, 4-(5-(4-chlorophenyl)-3-isoxazolyl)-
Property Insights of Benzeneacetic acid, 4-(5-(4-chlorophenyl)-3-isoxazolyl)-
The XLogP value of 4.2891 indicates that Benzeneacetic acid, 4-(5-(4-chlorophenyl)-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-(4-chlorophenyl)-3-isoxazolyl)-. Following Lipinski's Rule of Five, Benzeneacetic acid, 4-(5-(4-chlorophenyl)-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-(4-chlorophenyl)-3-isoxazolyl)-?
The CAS number of Benzeneacetic acid, 4-(5-(4-chlorophenyl)-3-isoxazolyl)- is 78868-40-3.
What is the molecular formula of Benzeneacetic acid, 4-(5-(4-chlorophenyl)-3-isoxazolyl)-?
The molecular formula of Benzeneacetic acid, 4-(5-(4-chlorophenyl)-3-isoxazolyl)- is C17H12ClNO3.
What is the molecular weight of Benzeneacetic acid, 4-(5-(4-chlorophenyl)-3-isoxazolyl)-?
The molecular weight of Benzeneacetic acid, 4-(5-(4-chlorophenyl)-3-isoxazolyl)- is 313.05 g/mol.
Where can I buy Benzeneacetic acid, 4-(5-(4-chlorophenyl)-3-isoxazolyl)-?
You can request a quote for Benzeneacetic acid, 4-(5-(4-chlorophenyl)-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-(4-chlorophenyl)-3-isoxazolyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, 4-(5-(4-chlorophenyl)-3-isoxazolyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.