![4-{[3-(Aminocarbonyl)-5-benzyl-4-methyl-2-thienyl]amino}-4-oxobutanoic acid structure](/static/products/3046/304668-08-4.webp)
4-{[3-(Aminocarbonyl)-5-benzyl-4-methyl-2-thienyl]amino}-4-oxobutanoic acid
TL;DR: 4-{[3-(Aminocarbonyl)-5-benzyl-4-methyl-2-thienyl]amino}-4-oxobutanoic acid (CAS 304668-08-4) is a chemical compound with molecular formula C17H18N2O4S and molecular weight 346.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5-benzyl-3-carbamoyl-4-methylthiophen-2-yl)amino]-4-oxobutanoic acid
Also Known As: BAS 00850861, 4-{[3-(aminocarbonyl)-5-benzyl-4-methyl-2-thienyl]amino}-4-oxobutanoic acid, 4-((5-benzyl-3-carbamoyl-4-methylthiophen-2-yl)amino)-4-oxobutanoic acid, AB00097333-01, 4-[(5-benzyl-3-carbamoyl-4-methylthiophen-2-yl)amino]-4-oxobutanoic acid
| Molecular Formula | C17H18N2O4S |
|---|---|
| Molecular Weight | 346.10 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 346.09872 |
| Heavy Atoms | 24 |
| Complexity | 479.0 |
Chemical Identifiers
| CAS Number | 304668-08-4 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)N)NC(=O)CCC(=O)O)CC2=CC=CC=C2 |
| InChIKey | KVBAEIFMOZSBBS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-{[3-(Aminocarbonyl)-5-benzyl-4-methyl-2-thienyl]amino}-4-oxobutanoic acid (CAS 304668-08-4), with molecular formula C17H18N2O4S and molecular weight 346.10 g/mol. IUPAC: 4-[(5-benzyl-3-carbamoyl-4-methylthiophen-2-yl)amino]-4-oxobutanoic acid.
Chemical Property Profile of 4-{[3-(Aminocarbonyl)-5-benzyl-4-methyl-2-thienyl]amino}-4-oxobutanoic acid
Property Insights of 4-{[3-(Aminocarbonyl)-5-benzyl-4-methyl-2-thienyl]amino}-4-oxobutanoic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[3-(Aminocarbonyl)-5-benzyl-4-methyl-2-thienyl]amino}-4-oxobutanoic acid. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[3-(Aminocarbonyl)-5-benzyl-4-methyl-2-thienyl]amino}-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-{[3-(Aminocarbonyl)-5-benzyl-4-methyl-2-thienyl]amino}-4-oxobutanoic acid has 3 hydrogen bond donor(s) and 5 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-(Aminocarbonyl)-5-benzyl-4-methyl-2-thienyl]amino}-4-oxobutanoic acid?
The CAS number of 4-{[3-(Aminocarbonyl)-5-benzyl-4-methyl-2-thienyl]amino}-4-oxobutanoic acid is 304668-08-4.
What is the molecular formula of 4-{[3-(Aminocarbonyl)-5-benzyl-4-methyl-2-thienyl]amino}-4-oxobutanoic acid?
The molecular formula of 4-{[3-(Aminocarbonyl)-5-benzyl-4-methyl-2-thienyl]amino}-4-oxobutanoic acid is C17H18N2O4S.
What is the molecular weight of 4-{[3-(Aminocarbonyl)-5-benzyl-4-methyl-2-thienyl]amino}-4-oxobutanoic acid?
The molecular weight of 4-{[3-(Aminocarbonyl)-5-benzyl-4-methyl-2-thienyl]amino}-4-oxobutanoic acid is 346.10 g/mol.
Where can I buy 4-{[3-(Aminocarbonyl)-5-benzyl-4-methyl-2-thienyl]amino}-4-oxobutanoic acid?
You can request a quote for 4-{[3-(Aminocarbonyl)-5-benzyl-4-methyl-2-thienyl]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-(Aminocarbonyl)-5-benzyl-4-methyl-2-thienyl]amino}-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[3-(Aminocarbonyl)-5-benzyl-4-methyl-2-thienyl]amino}-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.