![2-({[3-(Aminocarbonyl)-5-benzyl-4-methyl-2-thienyl]amino}carbonyl)benzoic acid structure](/static/products/3142/314281-77-1.webp)
2-({[3-(Aminocarbonyl)-5-benzyl-4-methyl-2-thienyl]amino}carbonyl)benzoic acid
TL;DR: 2-({[3-(Aminocarbonyl)-5-benzyl-4-methyl-2-thienyl]amino}carbonyl)benzoic acid (CAS 314281-77-1) is a chemical compound with molecular formula C21H18N2O4S and molecular weight 394.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-benzyl-3-carbamoyl-4-methylthiophen-2-yl)carbamoyl]benzoic acid
Also Known As: 2-({[3-(aminocarbonyl)-5-benzyl-4-methyl-2-thienyl]amino}carbonyl)benzoic acid, 2-((5-Benzyl-3-carbamoyl-4-methylthiophen-2-yl)carbamoyl)benzoic acid, 2-[(5-benzyl-3-carbamoyl-4-methylthiophen-2-yl)carbamoyl]benzoic acid, 2-{N-[3-carbamoyl-4-methyl-5-benzyl-2-thienyl]carbamoyl}benzoic acid
| Molecular Formula | C21H18N2O4S |
|---|---|
| Molecular Weight | 394.10 g/mol |
| LogP | 3.69672 |
| Topological Polar Surface Area | 109.49 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 394.09872 |
| Heavy Atoms | 28 |
| Complexity | 1057.5225 |
Chemical Identifiers
| CAS Number | 314281-77-1 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)N)NC(=O)C2=CC=CC=C2C(=O)O)CC3=CC=CC=C3 |
Product Overview
2-({[3-(Aminocarbonyl)-5-benzyl-4-methyl-2-thienyl]amino}carbonyl)benzoic acid (CAS 314281-77-1), with molecular formula C21H18N2O4S and molecular weight 394.10 g/mol. IUPAC: 2-[(5-benzyl-3-carbamoyl-4-methylthiophen-2-yl)carbamoyl]benzoic acid.
Chemical Property Profile of 2-({[3-(Aminocarbonyl)-5-benzyl-4-methyl-2-thienyl]amino}carbonyl)benzoic acid
Property Insights of 2-({[3-(Aminocarbonyl)-5-benzyl-4-methyl-2-thienyl]amino}carbonyl)benzoic acid
The XLogP value of 3.69672 indicates that 2-({[3-(Aminocarbonyl)-5-benzyl-4-methyl-2-thienyl]amino}carbonyl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({[3-(Aminocarbonyl)-5-benzyl-4-methyl-2-thienyl]amino}carbonyl)benzoic acid. Following Lipinski's Rule of Five, 2-({[3-(Aminocarbonyl)-5-benzyl-4-methyl-2-thienyl]amino}carbonyl)benzoic 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 2-({[3-(Aminocarbonyl)-5-benzyl-4-methyl-2-thienyl]amino}carbonyl)benzoic acid?
The CAS number of 2-({[3-(Aminocarbonyl)-5-benzyl-4-methyl-2-thienyl]amino}carbonyl)benzoic acid is 314281-77-1.
What is the molecular formula of 2-({[3-(Aminocarbonyl)-5-benzyl-4-methyl-2-thienyl]amino}carbonyl)benzoic acid?
The molecular formula of 2-({[3-(Aminocarbonyl)-5-benzyl-4-methyl-2-thienyl]amino}carbonyl)benzoic acid is C21H18N2O4S.
What is the molecular weight of 2-({[3-(Aminocarbonyl)-5-benzyl-4-methyl-2-thienyl]amino}carbonyl)benzoic acid?
The molecular weight of 2-({[3-(Aminocarbonyl)-5-benzyl-4-methyl-2-thienyl]amino}carbonyl)benzoic acid is 394.10 g/mol.
Where can I buy 2-({[3-(Aminocarbonyl)-5-benzyl-4-methyl-2-thienyl]amino}carbonyl)benzoic acid?
You can request a quote for 2-({[3-(Aminocarbonyl)-5-benzyl-4-methyl-2-thienyl]amino}carbonyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({[3-(Aminocarbonyl)-5-benzyl-4-methyl-2-thienyl]amino}carbonyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-({[3-(Aminocarbonyl)-5-benzyl-4-methyl-2-thienyl]amino}carbonyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.