3-(3-Methylbenzyl)-4-((4-nitrophenyl)amino)-4-oxobutanoic acid
TL;DR: 3-(3-Methylbenzyl)-4-((4-nitrophenyl)amino)-4-oxobutanoic acid (CAS 370855-69-9) is a chemical compound with molecular formula C18H18N2O5 and molecular weight 342.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3-methylphenyl)methyl]-4-(4-nitroanilino)-4-oxobutanoic acid
Also Known As: 4-(3-methylphenyl)-3-[(4-nitrophenyl)carbamoyl]butanoic Acid, 3-(3-methylbenzyl)-4-((4-nitrophenyl)amino)-4-oxobutanoic acid, 3-(3-methylbenzyl)-4-[(4-nitrophenyl)amino]-4-oxobutanoic acid, 3-[(3-methylphenyl)methyl]-4-(4-nitroanilino)-4-oxobutanoic acid
| Molecular Formula | C18H18N2O5 |
|---|---|
| Molecular Weight | 342.12 g/mol |
| LogP | 3.17532 |
| Topological Polar Surface Area | 109.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 342.12158 |
| Heavy Atoms | 25 |
| Complexity | 786.30835 |
Chemical Identifiers
| CAS Number | 370855-69-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CC(CC(=O)O)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
3-(3-Methylbenzyl)-4-((4-nitrophenyl)amino)-4-oxobutanoic acid (CAS 370855-69-9), with molecular formula C18H18N2O5 and molecular weight 342.12 g/mol. IUPAC: 3-[(3-methylphenyl)methyl]-4-(4-nitroanilino)-4-oxobutanoic acid.
Chemical Property Profile of 3-(3-Methylbenzyl)-4-((4-nitrophenyl)amino)-4-oxobutanoic acid
Property Insights of 3-(3-Methylbenzyl)-4-((4-nitrophenyl)amino)-4-oxobutanoic acid
The XLogP value of 3.17532 indicates that 3-(3-Methylbenzyl)-4-((4-nitrophenyl)amino)-4-oxobutanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-Methylbenzyl)-4-((4-nitrophenyl)amino)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 3-(3-Methylbenzyl)-4-((4-nitrophenyl)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 3-(3-Methylbenzyl)-4-((4-nitrophenyl)amino)-4-oxobutanoic acid?
The CAS number of 3-(3-Methylbenzyl)-4-((4-nitrophenyl)amino)-4-oxobutanoic acid is 370855-69-9.
What is the molecular formula of 3-(3-Methylbenzyl)-4-((4-nitrophenyl)amino)-4-oxobutanoic acid?
The molecular formula of 3-(3-Methylbenzyl)-4-((4-nitrophenyl)amino)-4-oxobutanoic acid is C18H18N2O5.
What is the molecular weight of 3-(3-Methylbenzyl)-4-((4-nitrophenyl)amino)-4-oxobutanoic acid?
The molecular weight of 3-(3-Methylbenzyl)-4-((4-nitrophenyl)amino)-4-oxobutanoic acid is 342.12 g/mol.
Where can I buy 3-(3-Methylbenzyl)-4-((4-nitrophenyl)amino)-4-oxobutanoic acid?
You can request a quote for 3-(3-Methylbenzyl)-4-((4-nitrophenyl)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 3-(3-Methylbenzyl)-4-((4-nitrophenyl)amino)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Methylbenzyl)-4-((4-nitrophenyl)amino)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.