1,2-Benzisoxazole-5-acetic acid, 3-(p-chlorophenyl)-alpha-methyl-
TL;DR: 1,2-Benzisoxazole-5-acetic acid, 3-(p-chlorophenyl)-alpha-methyl- (CAS 56394-66-2) is a chemical compound with molecular formula C16H12ClNO3 and molecular weight 301.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(4-chlorophenyl)-1,2-benzoxazol-5-yl]propanoic acid
Also Known As: 3-(p-Chlorophenyl)-alpha-methyl-1,2-benzisoxazole-5-acetic acid, 1,2-Benzisoxazole-5-acetic acid, 3-(p-chlorophenyl)-alpha-methyl-, 2-[3-(4-chlorophenyl)-1,2-benzoxazol-5-yl]propanoic acid, BRN 1010535, RefChem:215617
| Molecular Formula | C16H12ClNO3 |
|---|---|
| Molecular Weight | 301.05 g/mol |
| LogP | 4.3363 |
| Topological Polar Surface Area | 63.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.05057 |
| Heavy Atoms | 21 |
| Complexity | 808.00507 |
Chemical Identifiers
| CAS Number | 56394-66-2 |
|---|---|
| SMILES | CC(C1=CC2=C(C=C1)ON=C2C3=CC=C(C=C3)Cl)C(=O)O |
Product Overview
1,2-Benzisoxazole-5-acetic acid, 3-(p-chlorophenyl)-alpha-methyl- (CAS 56394-66-2), with molecular formula C16H12ClNO3 and molecular weight 301.05 g/mol. IUPAC: 2-[3-(4-chlorophenyl)-1,2-benzoxazol-5-yl]propanoic acid.
Chemical Property Profile of 1,2-Benzisoxazole-5-acetic acid, 3-(p-chlorophenyl)-alpha-methyl-
Property Insights of 1,2-Benzisoxazole-5-acetic acid, 3-(p-chlorophenyl)-alpha-methyl-
The XLogP value of 4.3363 indicates that 1,2-Benzisoxazole-5-acetic acid, 3-(p-chlorophenyl)-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 1,2-Benzisoxazole-5-acetic acid, 3-(p-chlorophenyl)-alpha-methyl-. Following Lipinski's Rule of Five, 1,2-Benzisoxazole-5-acetic acid, 3-(p-chlorophenyl)-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 1,2-Benzisoxazole-5-acetic acid, 3-(p-chlorophenyl)-alpha-methyl-?
The CAS number of 1,2-Benzisoxazole-5-acetic acid, 3-(p-chlorophenyl)-alpha-methyl- is 56394-66-2.
What is the molecular formula of 1,2-Benzisoxazole-5-acetic acid, 3-(p-chlorophenyl)-alpha-methyl-?
The molecular formula of 1,2-Benzisoxazole-5-acetic acid, 3-(p-chlorophenyl)-alpha-methyl- is C16H12ClNO3.
What is the molecular weight of 1,2-Benzisoxazole-5-acetic acid, 3-(p-chlorophenyl)-alpha-methyl-?
The molecular weight of 1,2-Benzisoxazole-5-acetic acid, 3-(p-chlorophenyl)-alpha-methyl- is 301.05 g/mol.
Where can I buy 1,2-Benzisoxazole-5-acetic acid, 3-(p-chlorophenyl)-alpha-methyl-?
You can request a quote for 1,2-Benzisoxazole-5-acetic acid, 3-(p-chlorophenyl)-alpha-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Benzisoxazole-5-acetic acid, 3-(p-chlorophenyl)-alpha-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzisoxazole-5-acetic acid, 3-(p-chlorophenyl)-alpha-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.