6-Benzoxazoleacetic acid, alpha-methyl-2-(p-tolyl)-
TL;DR: 6-Benzoxazoleacetic acid, alpha-methyl-2-(p-tolyl)- (CAS 51234-30-1) is a chemical compound with molecular formula C17H15NO3 and molecular weight 281.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]propanoic acid
Also Known As: alpha-Methyl-2-(4-methylphenyl)-6-benzoxazoleacetic acid, alpha-Methyl-2-(p-tolyl)-6-benzoxazoleacetic acid, 2-[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]propanoic acid, 4-Hydroxy-3-nitrophenyl-a-methylacetonitrile, 6-BENZOXAZOLEACETIC ACID, alpha-METHYL-2-(p-TOLYL)-
| Molecular Formula | C17H15NO3 |
|---|---|
| Molecular Weight | 281.11 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 63.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.1052 |
| Heavy Atoms | 21 |
| Complexity | 378.0 |
Chemical Identifiers
| CAS Number | 51234-30-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NC3=C(O2)C=C(C=C3)C(C)C(=O)O |
| InChIKey | LGCXCJYMHGXDBQ-UHFFFAOYSA-N |
Product Overview
6-Benzoxazoleacetic acid, alpha-methyl-2-(p-tolyl)- (CAS 51234-30-1), with molecular formula C17H15NO3 and molecular weight 281.11 g/mol. IUPAC: 2-[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]propanoic acid.
Chemical Property Profile of 6-Benzoxazoleacetic acid, alpha-methyl-2-(p-tolyl)-
Property Insights of 6-Benzoxazoleacetic acid, alpha-methyl-2-(p-tolyl)-
The XLogP value of 3.8 indicates that 6-Benzoxazoleacetic acid, alpha-methyl-2-(p-tolyl)- 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, alpha-methyl-2-(p-tolyl)-. Following Lipinski's Rule of Five, 6-Benzoxazoleacetic acid, alpha-methyl-2-(p-tolyl)- 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, alpha-methyl-2-(p-tolyl)-?
The CAS number of 6-Benzoxazoleacetic acid, alpha-methyl-2-(p-tolyl)- is 51234-30-1.
What is the molecular formula of 6-Benzoxazoleacetic acid, alpha-methyl-2-(p-tolyl)-?
The molecular formula of 6-Benzoxazoleacetic acid, alpha-methyl-2-(p-tolyl)- is C17H15NO3.
What is the molecular weight of 6-Benzoxazoleacetic acid, alpha-methyl-2-(p-tolyl)-?
The molecular weight of 6-Benzoxazoleacetic acid, alpha-methyl-2-(p-tolyl)- is 281.11 g/mol.
Where can I buy 6-Benzoxazoleacetic acid, alpha-methyl-2-(p-tolyl)-?
You can request a quote for 6-Benzoxazoleacetic acid, alpha-methyl-2-(p-tolyl)- 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, alpha-methyl-2-(p-tolyl)-?
Yes, KEHONG BIO provides custom synthesis services for 6-Benzoxazoleacetic acid, alpha-methyl-2-(p-tolyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.