1,2-Benzisoxazole-5-acetic acid, 3-(p-chlorophenyl)-
TL;DR: 1,2-Benzisoxazole-5-acetic acid, 3-(p-chlorophenyl)- (CAS 56394-63-9) is a chemical compound with molecular formula C15H10ClNO3 and molecular weight 287.03 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]acetic acid
Also Known As: 1,2-Benzisoxazole-5-acetic acid, 3-(p-chlorophenyl)-, 3-(p-Chlorophenyl)-1,2-benzisoxazole-5-acetic acid, 2-[3-(4-chlorophenyl)-1,2-benzoxazol-5-yl]acetic acid, [3-(4-CHLOROPHENYL)-1,2-BENZOXAZOL-5-YL]ACETIC ACID, BRN 0541319
| Molecular Formula | C15H10ClNO3 |
|---|---|
| Molecular Weight | 287.03 g/mol |
| LogP | 3.7753 |
| Topological Polar Surface Area | 63.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 287.0349 |
| Heavy Atoms | 20 |
| Complexity | 777.4179 |
Chemical Identifiers
| CAS Number | 56394-63-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NOC3=C2C=C(C=C3)CC(=O)O)Cl |
Product Overview
1,2-Benzisoxazole-5-acetic acid, 3-(p-chlorophenyl)- (CAS 56394-63-9), with molecular formula C15H10ClNO3 and molecular weight 287.03 g/mol. IUPAC: 2-[3-(4-chlorophenyl)-1,2-benzoxazol-5-yl]acetic acid.
Chemical Property Profile of 1,2-Benzisoxazole-5-acetic acid, 3-(p-chlorophenyl)-
Property Insights of 1,2-Benzisoxazole-5-acetic acid, 3-(p-chlorophenyl)-
The XLogP value of 3.7753 indicates that 1,2-Benzisoxazole-5-acetic acid, 3-(p-chlorophenyl)- 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)-. Following Lipinski's Rule of Five, 1,2-Benzisoxazole-5-acetic acid, 3-(p-chlorophenyl)- 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)-?
The CAS number of 1,2-Benzisoxazole-5-acetic acid, 3-(p-chlorophenyl)- is 56394-63-9.
What is the molecular formula of 1,2-Benzisoxazole-5-acetic acid, 3-(p-chlorophenyl)-?
The molecular formula of 1,2-Benzisoxazole-5-acetic acid, 3-(p-chlorophenyl)- is C15H10ClNO3.
What is the molecular weight of 1,2-Benzisoxazole-5-acetic acid, 3-(p-chlorophenyl)-?
The molecular weight of 1,2-Benzisoxazole-5-acetic acid, 3-(p-chlorophenyl)- is 287.03 g/mol.
Where can I buy 1,2-Benzisoxazole-5-acetic acid, 3-(p-chlorophenyl)-?
You can request a quote for 1,2-Benzisoxazole-5-acetic acid, 3-(p-chlorophenyl)- 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)-?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzisoxazole-5-acetic acid, 3-(p-chlorophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.