Benzeneacetic acid, 4-(5-(4-chlorophenyl)-3-isoxazolyl)-alpha-methyl-
TL;DR: Benzeneacetic acid, 4-(5-(4-chlorophenyl)-3-isoxazolyl)-alpha-methyl- (CAS 78868-44-7) is a chemical compound with molecular formula C18H14ClNO3 and molecular weight 327.07 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]propanoic acid
Also Known As: 4-(5-(4-Chlorophenyl)-3-isoxazolyl)-alpha-methylbenzeneacetic acid, Benzeneacetic acid, 4-(5-(4-chlorophenyl)-3-isoxazolyl)-alpha-methyl-, 2-[4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]phenyl]propanoic acid, 2-{4-[5-(4-CHLOROPHENYL)-1,2-OXAZOL-3-YL]PHENYL}PROPANOIC ACID, BRN 4524289
| Molecular Formula | C18H14ClNO3 |
|---|---|
| Molecular Weight | 327.07 g/mol |
| LogP | 4.8501 |
| Topological Polar Surface Area | 63.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.06622 |
| Heavy Atoms | 23 |
| Complexity | 822.23285 |
Chemical Identifiers
| CAS Number | 78868-44-7 |
|---|---|
| SMILES | CC(C1=CC=C(C=C1)C2=NOC(=C2)C3=CC=C(C=C3)Cl)C(=O)O |
Product Overview
Benzeneacetic acid, 4-(5-(4-chlorophenyl)-3-isoxazolyl)-alpha-methyl- (CAS 78868-44-7), with molecular formula C18H14ClNO3 and molecular weight 327.07 g/mol. IUPAC: 2-[4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]phenyl]propanoic acid.
Chemical Property Profile of Benzeneacetic acid, 4-(5-(4-chlorophenyl)-3-isoxazolyl)-alpha-methyl-
Property Insights of Benzeneacetic acid, 4-(5-(4-chlorophenyl)-3-isoxazolyl)-alpha-methyl-
The XLogP value of 4.8501 indicates that Benzeneacetic acid, 4-(5-(4-chlorophenyl)-3-isoxazolyl)-alpha-methyl- 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)-alpha-methyl-. Following Lipinski's Rule of Five, Benzeneacetic acid, 4-(5-(4-chlorophenyl)-3-isoxazolyl)-alpha-methyl- 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)-alpha-methyl-?
The CAS number of Benzeneacetic acid, 4-(5-(4-chlorophenyl)-3-isoxazolyl)-alpha-methyl- is 78868-44-7.
What is the molecular formula of Benzeneacetic acid, 4-(5-(4-chlorophenyl)-3-isoxazolyl)-alpha-methyl-?
The molecular formula of Benzeneacetic acid, 4-(5-(4-chlorophenyl)-3-isoxazolyl)-alpha-methyl- is C18H14ClNO3.
What is the molecular weight of Benzeneacetic acid, 4-(5-(4-chlorophenyl)-3-isoxazolyl)-alpha-methyl-?
The molecular weight of Benzeneacetic acid, 4-(5-(4-chlorophenyl)-3-isoxazolyl)-alpha-methyl- is 327.07 g/mol.
Where can I buy Benzeneacetic acid, 4-(5-(4-chlorophenyl)-3-isoxazolyl)-alpha-methyl-?
You can request a quote for Benzeneacetic acid, 4-(5-(4-chlorophenyl)-3-isoxazolyl)-alpha-methyl- 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)-alpha-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, 4-(5-(4-chlorophenyl)-3-isoxazolyl)-alpha-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.