![4-({3-Methyl-4-[(thiophen-2-ylcarbonyl)amino]phenyl}amino)-4-oxobutanoic acid structure](/static/products/3308/330836-02-7.webp)
4-({3-Methyl-4-[(thiophen-2-ylcarbonyl)amino]phenyl}amino)-4-oxobutanoic acid
TL;DR: 4-({3-Methyl-4-[(thiophen-2-ylcarbonyl)amino]phenyl}amino)-4-oxobutanoic acid (CAS 330836-02-7) is a chemical compound with molecular formula C16H16N2O4S and molecular weight 332.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-methyl-4-(thiophene-2-carbonylamino)anilino]-4-oxobutanoic acid
Also Known As: BAS 01907861, 3-{[3-METHYL-4-(THIOPHENE-2-AMIDO)PHENYL]CARBAMOYL}PROPANOIC ACID, 4-((3-methyl-4-(thiophene-2-carboxamido)phenyl)amino)-4-oxobutanoic acid, 4-[3-methyl-4-(thiophene-2-carbonylamino)anilino]-4-oxobutanoic acid, N-{3-Methyl-4-[(thiophene-2-carbonyl)-amino]-phenyl}-succinamic acid
| Molecular Formula | C16H16N2O4S |
|---|---|
| Molecular Weight | 332.08 g/mol |
| LogP | 3.11212 |
| Topological Polar Surface Area | 95.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 332.08307 |
| Heavy Atoms | 23 |
| Complexity | 725.6864 |
Chemical Identifiers
| CAS Number | 330836-02-7 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)NC(=O)CCC(=O)O)NC(=O)C2=CC=CS2 |
Product Overview
4-({3-Methyl-4-[(thiophen-2-ylcarbonyl)amino]phenyl}amino)-4-oxobutanoic acid (CAS 330836-02-7), with molecular formula C16H16N2O4S and molecular weight 332.08 g/mol. IUPAC: 4-[3-methyl-4-(thiophene-2-carbonylamino)anilino]-4-oxobutanoic acid.
Chemical Property Profile of 4-({3-Methyl-4-[(thiophen-2-ylcarbonyl)amino]phenyl}amino)-4-oxobutanoic acid
Property Insights of 4-({3-Methyl-4-[(thiophen-2-ylcarbonyl)amino]phenyl}amino)-4-oxobutanoic acid
The XLogP value of 3.11212 indicates that 4-({3-Methyl-4-[(thiophen-2-ylcarbonyl)amino]phenyl}amino)-4-oxobutanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-({3-Methyl-4-[(thiophen-2-ylcarbonyl)amino]phenyl}amino)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-({3-Methyl-4-[(thiophen-2-ylcarbonyl)amino]phenyl}amino)-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-Methyl-4-[(thiophen-2-ylcarbonyl)amino]phenyl}amino)-4-oxobutanoic acid?
The CAS number of 4-({3-Methyl-4-[(thiophen-2-ylcarbonyl)amino]phenyl}amino)-4-oxobutanoic acid is 330836-02-7.
What is the molecular formula of 4-({3-Methyl-4-[(thiophen-2-ylcarbonyl)amino]phenyl}amino)-4-oxobutanoic acid?
The molecular formula of 4-({3-Methyl-4-[(thiophen-2-ylcarbonyl)amino]phenyl}amino)-4-oxobutanoic acid is C16H16N2O4S.
What is the molecular weight of 4-({3-Methyl-4-[(thiophen-2-ylcarbonyl)amino]phenyl}amino)-4-oxobutanoic acid?
The molecular weight of 4-({3-Methyl-4-[(thiophen-2-ylcarbonyl)amino]phenyl}amino)-4-oxobutanoic acid is 332.08 g/mol.
Where can I buy 4-({3-Methyl-4-[(thiophen-2-ylcarbonyl)amino]phenyl}amino)-4-oxobutanoic acid?
You can request a quote for 4-({3-Methyl-4-[(thiophen-2-ylcarbonyl)amino]phenyl}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-({3-Methyl-4-[(thiophen-2-ylcarbonyl)amino]phenyl}amino)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-({3-Methyl-4-[(thiophen-2-ylcarbonyl)amino]phenyl}amino)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.