5-Benzoxazoleacetic acid, 2-(4-chloro-2-hydroxyphenyl)-alpha-methyl-
TL;DR: 5-Benzoxazoleacetic acid, 2-(4-chloro-2-hydroxyphenyl)-alpha-methyl- (CAS 51234-34-5) is a chemical compound with molecular formula C16H12ClNO4 and molecular weight 317.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-chloro-2-hydroxyphenyl)-1,3-benzoxazol-5-yl]propanoic acid
Also Known As: 2-(4-Chloro-2-hydroxyphenyl)-alpha-methyl-5-benzoxazoleacetic acid, 5-Benzoxazoleacetic acid, 2-(4-chloro-2-hydroxyphenyl)-alpha-methyl-, 2-[(2E)-2-(4-chloro-6-oxocyclohexa-2,4-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]propanoic acid, 2-[(2Z)-2-(4-chloro-6-oxocyclohexa-2,4-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]propanoic acid, RefChem:1072657
| Molecular Formula | C16H12ClNO4 |
|---|---|
| Molecular Weight | 317.05 g/mol |
| LogP | 4.0419 |
| Topological Polar Surface Area | 83.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 317.04547 |
| Heavy Atoms | 22 |
| Complexity | 871.7084 |
Chemical Identifiers
| CAS Number | 51234-34-5 |
|---|---|
| SMILES | CC(C1=CC2=C(C=C1)OC(=N2)C3=C(C=C(C=C3)Cl)O)C(=O)O |
Product Overview
5-Benzoxazoleacetic acid, 2-(4-chloro-2-hydroxyphenyl)-alpha-methyl- (CAS 51234-34-5), with molecular formula C16H12ClNO4 and molecular weight 317.05 g/mol. IUPAC: 2-[2-(4-chloro-2-hydroxyphenyl)-1,3-benzoxazol-5-yl]propanoic acid.
Chemical Property Profile of 5-Benzoxazoleacetic acid, 2-(4-chloro-2-hydroxyphenyl)-alpha-methyl-
Property Insights of 5-Benzoxazoleacetic acid, 2-(4-chloro-2-hydroxyphenyl)-alpha-methyl-
The XLogP value of 4.0419 indicates that 5-Benzoxazoleacetic acid, 2-(4-chloro-2-hydroxyphenyl)-alpha-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Benzoxazoleacetic acid, 2-(4-chloro-2-hydroxyphenyl)-alpha-methyl-. Following Lipinski's Rule of Five, 5-Benzoxazoleacetic acid, 2-(4-chloro-2-hydroxyphenyl)-alpha-methyl- has 2 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 5-Benzoxazoleacetic acid, 2-(4-chloro-2-hydroxyphenyl)-alpha-methyl-?
The CAS number of 5-Benzoxazoleacetic acid, 2-(4-chloro-2-hydroxyphenyl)-alpha-methyl- is 51234-34-5.
What is the molecular formula of 5-Benzoxazoleacetic acid, 2-(4-chloro-2-hydroxyphenyl)-alpha-methyl-?
The molecular formula of 5-Benzoxazoleacetic acid, 2-(4-chloro-2-hydroxyphenyl)-alpha-methyl- is C16H12ClNO4.
What is the molecular weight of 5-Benzoxazoleacetic acid, 2-(4-chloro-2-hydroxyphenyl)-alpha-methyl-?
The molecular weight of 5-Benzoxazoleacetic acid, 2-(4-chloro-2-hydroxyphenyl)-alpha-methyl- is 317.05 g/mol.
Where can I buy 5-Benzoxazoleacetic acid, 2-(4-chloro-2-hydroxyphenyl)-alpha-methyl-?
You can request a quote for 5-Benzoxazoleacetic acid, 2-(4-chloro-2-hydroxyphenyl)-alpha-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Benzoxazoleacetic acid, 2-(4-chloro-2-hydroxyphenyl)-alpha-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 5-Benzoxazoleacetic acid, 2-(4-chloro-2-hydroxyphenyl)-alpha-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.