5-Benzoxazoleacetic acid, 2-(4-acetylphenyl)-alpha-methyl-
TL;DR: 5-Benzoxazoleacetic acid, 2-(4-acetylphenyl)-alpha-methyl- (CAS 51234-37-8) is a chemical compound with molecular formula C18H15NO4 and molecular weight 309.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-acetylphenyl)-1,3-benzoxazol-5-yl]propanoic acid
Also Known As: 2-(4-Acetylphenyl)-alpha-methyl-5-benzoxazoleacetic acid, 2-[2-(4-acetylphenyl)-1,3-benzoxazol-5-yl]propanoic acid, 4-Hydroxy-3-nitrophenyl-a-methylacetonitrile, 5-BENZOXAZOLEACETIC ACID, 2-(4-ACETYLPHENYL)-alpha-METHYL-, 5-Benzoxazoleacetic acid, 2-(4-acetylphenyl)-.alpha.-methyl-
| Molecular Formula | C18H15NO4 |
|---|---|
| Molecular Weight | 309.10 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 80.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 309.1001 |
| Heavy Atoms | 23 |
| Complexity | 458.0 |
Chemical Identifiers
| CAS Number | 51234-37-8 |
|---|---|
| SMILES | CC(C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)C(=O)C)C(=O)O |
| InChIKey | RINYHQOSGRLIMH-UHFFFAOYSA-N |
Product Overview
5-Benzoxazoleacetic acid, 2-(4-acetylphenyl)-alpha-methyl- (CAS 51234-37-8), with molecular formula C18H15NO4 and molecular weight 309.10 g/mol. IUPAC: 2-[2-(4-acetylphenyl)-1,3-benzoxazol-5-yl]propanoic acid.
Chemical Property Profile of 5-Benzoxazoleacetic acid, 2-(4-acetylphenyl)-alpha-methyl-
Property Insights of 5-Benzoxazoleacetic acid, 2-(4-acetylphenyl)-alpha-methyl-
The XLogP value of 3.1 indicates that 5-Benzoxazoleacetic acid, 2-(4-acetylphenyl)-alpha-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Benzoxazoleacetic acid, 2-(4-acetylphenyl)-alpha-methyl-. Following Lipinski's Rule of Five, 5-Benzoxazoleacetic acid, 2-(4-acetylphenyl)-alpha-methyl- has 1 hydrogen bond donor(s) and 5 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-acetylphenyl)-alpha-methyl-?
The CAS number of 5-Benzoxazoleacetic acid, 2-(4-acetylphenyl)-alpha-methyl- is 51234-37-8.
What is the molecular formula of 5-Benzoxazoleacetic acid, 2-(4-acetylphenyl)-alpha-methyl-?
The molecular formula of 5-Benzoxazoleacetic acid, 2-(4-acetylphenyl)-alpha-methyl- is C18H15NO4.
What is the molecular weight of 5-Benzoxazoleacetic acid, 2-(4-acetylphenyl)-alpha-methyl-?
The molecular weight of 5-Benzoxazoleacetic acid, 2-(4-acetylphenyl)-alpha-methyl- is 309.10 g/mol.
Where can I buy 5-Benzoxazoleacetic acid, 2-(4-acetylphenyl)-alpha-methyl-?
You can request a quote for 5-Benzoxazoleacetic acid, 2-(4-acetylphenyl)-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-acetylphenyl)-alpha-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 5-Benzoxazoleacetic acid, 2-(4-acetylphenyl)-alpha-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.