![4-[(2-Isopropyl-6-methylphenyl)amino]-4-oxobutanoic acid structure](/static/products/904/904797-70-2.png)
4-[(2-Isopropyl-6-methylphenyl)amino]-4-oxobutanoic acid
TL;DR: 4-[(2-Isopropyl-6-methylphenyl)amino]-4-oxobutanoic acid (CAS 904797-70-2) is a chemical compound with molecular formula C14H19NO3 and molecular weight 249.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-methyl-6-propan-2-ylanilino)-4-oxobutanoic acid
Also Known As: 4-[(2-ISOPROPYL-6-METHYLPHENYL)AMINO]-4-OXOBUTANOIC ACID, CHEMBRDG-BB 9071748, 2745AF, 4-(2-methyl-6-propan-2-ylanilino)-4-oxobutanoic acid, Y-2051
| Molecular Formula | C14H19NO3 |
|---|---|
| Molecular Weight | 249.14 g/mol |
| LogP | 2.92172 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 249.13649 |
| Heavy Atoms | 18 |
| Complexity | 452.35236 |
Chemical Identifiers
| CAS Number | 904797-70-2 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C(C)C)NC(=O)CCC(=O)O |
Product Overview
4-[(2-Isopropyl-6-methylphenyl)amino]-4-oxobutanoic acid (CAS 904797-70-2), with molecular formula C14H19NO3 and molecular weight 249.14 g/mol. IUPAC: 4-(2-methyl-6-propan-2-ylanilino)-4-oxobutanoic acid.
Chemical Property Profile of 4-[(2-Isopropyl-6-methylphenyl)amino]-4-oxobutanoic acid
Property Insights of 4-[(2-Isopropyl-6-methylphenyl)amino]-4-oxobutanoic acid
The XLogP value of 2.92172 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(2-Isopropyl-6-methylphenyl)amino]-4-oxobutanoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(2-Isopropyl-6-methylphenyl)amino]-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-[(2-Isopropyl-6-methylphenyl)amino]-4-oxobutanoic acid has 2 hydrogen bond donor(s) and 2 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-Isopropyl-6-methylphenyl)amino]-4-oxobutanoic acid?
The CAS number of 4-[(2-Isopropyl-6-methylphenyl)amino]-4-oxobutanoic acid is 904797-70-2.
What is the molecular formula of 4-[(2-Isopropyl-6-methylphenyl)amino]-4-oxobutanoic acid?
The molecular formula of 4-[(2-Isopropyl-6-methylphenyl)amino]-4-oxobutanoic acid is C14H19NO3.
What is the molecular weight of 4-[(2-Isopropyl-6-methylphenyl)amino]-4-oxobutanoic acid?
The molecular weight of 4-[(2-Isopropyl-6-methylphenyl)amino]-4-oxobutanoic acid is 249.14 g/mol.
Where can I buy 4-[(2-Isopropyl-6-methylphenyl)amino]-4-oxobutanoic acid?
You can request a quote for 4-[(2-Isopropyl-6-methylphenyl)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-Isopropyl-6-methylphenyl)amino]-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(2-Isopropyl-6-methylphenyl)amino]-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.