![4-{[2-(3-Methylphenyl)-1,3-benzoxazol-6-yl]amino}-4-oxobutanoic acid structure](/static/products/878/878438-22-3.png)
4-{[2-(3-Methylphenyl)-1,3-benzoxazol-6-yl]amino}-4-oxobutanoic acid
TL;DR: 4-{[2-(3-Methylphenyl)-1,3-benzoxazol-6-yl]amino}-4-oxobutanoic acid (CAS 878438-22-3) is a chemical compound with molecular formula C18H16N2O4 and molecular weight 324.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-(3-methylphenyl)-1,3-benzoxazol-6-yl]amino]-4-oxobutanoic acid
Also Known As: BAS 13556077, N-(2-m-Tolyl-benzooxazol-6-yl)-succinamic acid, 4-oxo-4-((2-(m-tolyl)benzo[d]oxazol-6-yl)amino)butanoic acid, 4-[[2-(3-methylphenyl)-1,3-benzoxazol-6-yl]amino]-4-oxobutanoic acid, 4-{[2-(3-methylphenyl)-1,3-benzoxazol-6-yl]amino}-4-oxobutanoic acid
| Molecular Formula | C18H16N2O4 |
|---|---|
| Molecular Weight | 324.11 g/mol |
| LogP | 3.60652 |
| Topological Polar Surface Area | 92.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 324.111 |
| Heavy Atoms | 24 |
| Complexity | 914.2777 |
Chemical Identifiers
| CAS Number | 878438-22-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C2=NC3=C(O2)C=C(C=C3)NC(=O)CCC(=O)O |
Product Overview
4-{[2-(3-Methylphenyl)-1,3-benzoxazol-6-yl]amino}-4-oxobutanoic acid (CAS 878438-22-3), with molecular formula C18H16N2O4 and molecular weight 324.11 g/mol. IUPAC: 4-[[2-(3-methylphenyl)-1,3-benzoxazol-6-yl]amino]-4-oxobutanoic acid.
Chemical Property Profile of 4-{[2-(3-Methylphenyl)-1,3-benzoxazol-6-yl]amino}-4-oxobutanoic acid
Property Insights of 4-{[2-(3-Methylphenyl)-1,3-benzoxazol-6-yl]amino}-4-oxobutanoic acid
The XLogP value of 3.60652 indicates that 4-{[2-(3-Methylphenyl)-1,3-benzoxazol-6-yl]amino}-4-oxobutanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[2-(3-Methylphenyl)-1,3-benzoxazol-6-yl]amino}-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-{[2-(3-Methylphenyl)-1,3-benzoxazol-6-yl]amino}-4-oxobutanoic acid 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 4-{[2-(3-Methylphenyl)-1,3-benzoxazol-6-yl]amino}-4-oxobutanoic acid?
The CAS number of 4-{[2-(3-Methylphenyl)-1,3-benzoxazol-6-yl]amino}-4-oxobutanoic acid is 878438-22-3.
What is the molecular formula of 4-{[2-(3-Methylphenyl)-1,3-benzoxazol-6-yl]amino}-4-oxobutanoic acid?
The molecular formula of 4-{[2-(3-Methylphenyl)-1,3-benzoxazol-6-yl]amino}-4-oxobutanoic acid is C18H16N2O4.
What is the molecular weight of 4-{[2-(3-Methylphenyl)-1,3-benzoxazol-6-yl]amino}-4-oxobutanoic acid?
The molecular weight of 4-{[2-(3-Methylphenyl)-1,3-benzoxazol-6-yl]amino}-4-oxobutanoic acid is 324.11 g/mol.
Where can I buy 4-{[2-(3-Methylphenyl)-1,3-benzoxazol-6-yl]amino}-4-oxobutanoic acid?
You can request a quote for 4-{[2-(3-Methylphenyl)-1,3-benzoxazol-6-yl]amino}-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[2-(3-Methylphenyl)-1,3-benzoxazol-6-yl]amino}-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[2-(3-Methylphenyl)-1,3-benzoxazol-6-yl]amino}-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.