![4-[3-[(2-Methylphenyl)carbamoyl]anilino]-4-oxobutanoic acid structure](/static/products/3132/313226-44-7.webp)
4-[3-[(2-Methylphenyl)carbamoyl]anilino]-4-oxobutanoic acid
TL;DR: 4-[3-[(2-Methylphenyl)carbamoyl]anilino]-4-oxobutanoic acid (CAS 313226-44-7) is a chemical compound with molecular formula C18H18N2O4 and molecular weight 326.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-[(2-methylphenyl)carbamoyl]anilino]-4-oxobutanoic acid
Also Known As: BAS 00293647, N-(3-o-Tolylcarbamoyl-phenyl)-succinamic acid, 4-keto-4-[3-(o-tolylcarbamoyl)anilino]butyric acid, 4-[3-[(2-methylphenyl)carbamoyl]anilino]-4-oxobutanoic acid, 4-oxo-4-[3-(2-toluidinocarbonyl)anilino]butanoic acid
| Molecular Formula | C18H18N2O4 |
|---|---|
| Molecular Weight | 326.13 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 95.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 326.12665 |
| Heavy Atoms | 24 |
| Complexity | 466.0 |
Chemical Identifiers
| CAS Number | 313226-44-7 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)C2=CC(=CC=C2)NC(=O)CCC(=O)O |
| InChIKey | JPNGZTYUIDWKCY-UHFFFAOYSA-N |
Product Overview
4-[3-[(2-Methylphenyl)carbamoyl]anilino]-4-oxobutanoic acid (CAS 313226-44-7), with molecular formula C18H18N2O4 and molecular weight 326.13 g/mol. IUPAC: 4-[3-[(2-methylphenyl)carbamoyl]anilino]-4-oxobutanoic acid.
Chemical Property Profile of 4-[3-[(2-Methylphenyl)carbamoyl]anilino]-4-oxobutanoic acid
Property Insights of 4-[3-[(2-Methylphenyl)carbamoyl]anilino]-4-oxobutanoic acid
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[3-[(2-Methylphenyl)carbamoyl]anilino]-4-oxobutanoic acid. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[3-[(2-Methylphenyl)carbamoyl]anilino]-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-[3-[(2-Methylphenyl)carbamoyl]anilino]-4-oxobutanoic acid has 3 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-[3-[(2-Methylphenyl)carbamoyl]anilino]-4-oxobutanoic acid?
The CAS number of 4-[3-[(2-Methylphenyl)carbamoyl]anilino]-4-oxobutanoic acid is 313226-44-7.
What is the molecular formula of 4-[3-[(2-Methylphenyl)carbamoyl]anilino]-4-oxobutanoic acid?
The molecular formula of 4-[3-[(2-Methylphenyl)carbamoyl]anilino]-4-oxobutanoic acid is C18H18N2O4.
What is the molecular weight of 4-[3-[(2-Methylphenyl)carbamoyl]anilino]-4-oxobutanoic acid?
The molecular weight of 4-[3-[(2-Methylphenyl)carbamoyl]anilino]-4-oxobutanoic acid is 326.13 g/mol.
Where can I buy 4-[3-[(2-Methylphenyl)carbamoyl]anilino]-4-oxobutanoic acid?
You can request a quote for 4-[3-[(2-Methylphenyl)carbamoyl]anilino]-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-[3-[(2-Methylphenyl)carbamoyl]anilino]-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[3-[(2-Methylphenyl)carbamoyl]anilino]-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.