6-Benzoxazoleacetic acid, 2-(o-chlorophenyl)-alpha-methyl-
TL;DR: 6-Benzoxazoleacetic acid, 2-(o-chlorophenyl)-alpha-methyl- (CAS 51234-79-8) 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-[2-(2-chlorophenyl)-1,3-benzoxazol-6-yl]propanoic acid
Also Known As: 2-(2-Chlorophenyl)-alpha-methyl-6-benzoxazoleacetic acid, 2-[2-(2-chlorophenyl)-1,3-benzoxazol-6-yl]propanoic acid, 6-BENZOXAZOLEACETIC ACID, 2-(o-CHLOROPHENYL)-alpha-METHYL-, 2-(2-o-chlorophenyl-6-benzoxazolyl)propionic acid, 2-(2-o-chlorophenyl-6-benzoxazolyl)-propionic acid
| Molecular Formula | C16H12ClNO3 |
|---|---|
| Molecular Weight | 301.05 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 63.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.05057 |
| Heavy Atoms | 21 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 51234-79-8 |
|---|---|
| SMILES | CC(C1=CC2=C(C=C1)N=C(O2)C3=CC=CC=C3Cl)C(=O)O |
| InChIKey | JGOLVGGDNSGQMM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Benzoxazoleacetic acid, 2-(o-chlorophenyl)-alpha-methyl- (CAS 51234-79-8), with molecular formula C16H12ClNO3 and molecular weight 301.05 g/mol. IUPAC: 2-[2-(2-chlorophenyl)-1,3-benzoxazol-6-yl]propanoic acid.
Chemical Property Profile of 6-Benzoxazoleacetic acid, 2-(o-chlorophenyl)-alpha-methyl-
Property Insights of 6-Benzoxazoleacetic acid, 2-(o-chlorophenyl)-alpha-methyl-
The XLogP value of 4.1 indicates that 6-Benzoxazoleacetic acid, 2-(o-chlorophenyl)-alpha-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Benzoxazoleacetic acid, 2-(o-chlorophenyl)-alpha-methyl-. Following Lipinski's Rule of Five, 6-Benzoxazoleacetic acid, 2-(o-chlorophenyl)-alpha-methyl- has 1 hydrogen bond donor(s) and 4 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 6-Benzoxazoleacetic acid, 2-(o-chlorophenyl)-alpha-methyl-?
The CAS number of 6-Benzoxazoleacetic acid, 2-(o-chlorophenyl)-alpha-methyl- is 51234-79-8.
What is the molecular formula of 6-Benzoxazoleacetic acid, 2-(o-chlorophenyl)-alpha-methyl-?
The molecular formula of 6-Benzoxazoleacetic acid, 2-(o-chlorophenyl)-alpha-methyl- is C16H12ClNO3.
What is the molecular weight of 6-Benzoxazoleacetic acid, 2-(o-chlorophenyl)-alpha-methyl-?
The molecular weight of 6-Benzoxazoleacetic acid, 2-(o-chlorophenyl)-alpha-methyl- is 301.05 g/mol.
Where can I buy 6-Benzoxazoleacetic acid, 2-(o-chlorophenyl)-alpha-methyl-?
You can request a quote for 6-Benzoxazoleacetic acid, 2-(o-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 6-Benzoxazoleacetic acid, 2-(o-chlorophenyl)-alpha-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 6-Benzoxazoleacetic acid, 2-(o-chlorophenyl)-alpha-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.