![5-{[(1-Benzofuran-2-ylcarbonyl)carbamothioyl]amino}-2-chlorobenzoic acid structure](/static/products/4339/433950-38-0.webp)
5-{[(1-Benzofuran-2-ylcarbonyl)carbamothioyl]amino}-2-chlorobenzoic acid
TL;DR: 5-{[(1-Benzofuran-2-ylcarbonyl)carbamothioyl]amino}-2-chlorobenzoic acid (CAS 433950-38-0) is a chemical compound with molecular formula C17H11ClN2O4S and molecular weight 374.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1-benzofuran-2-carbonylcarbamothioylamino)-2-chlorobenzoic acid
Also Known As: 5-(3-(benzofuran-2-carbonyl)thioureido)-2-chlorobenzoic acid, 5-(1-benzofuran-2-carbonylcarbamothioylamino)-2-chlorobenzoic acid, 5-(benzofuran-2-carbonylthiocarbamoylamino)-2-chloro-benzoic Acid, 5-[3-(Benzofuran-2-carbonyl)-thioureido]-2-chloro-benzoic acid, 5-{[(1-benzofuran-2-ylcarbonyl)carbamothioyl]amino}-2-chlorobenzoic acid
| Molecular Formula | C17H11ClN2O4S |
|---|---|
| Molecular Weight | 374.01 g/mol |
| LogP | 3.9112 |
| Topological Polar Surface Area | 91.57 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 374.01282 |
| Heavy Atoms | 25 |
| Complexity | 966.23145 |
Chemical Identifiers
| CAS Number | 433950-38-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(O2)C(=O)NC(=S)NC3=CC(=C(C=C3)Cl)C(=O)O |
Product Overview
5-{[(1-Benzofuran-2-ylcarbonyl)carbamothioyl]amino}-2-chlorobenzoic acid (CAS 433950-38-0), with molecular formula C17H11ClN2O4S and molecular weight 374.01 g/mol. IUPAC: 5-(1-benzofuran-2-carbonylcarbamothioylamino)-2-chlorobenzoic acid.
Chemical Property Profile of 5-{[(1-Benzofuran-2-ylcarbonyl)carbamothioyl]amino}-2-chlorobenzoic acid
Property Insights of 5-{[(1-Benzofuran-2-ylcarbonyl)carbamothioyl]amino}-2-chlorobenzoic acid
The XLogP value of 3.9112 indicates that 5-{[(1-Benzofuran-2-ylcarbonyl)carbamothioyl]amino}-2-chlorobenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-{[(1-Benzofuran-2-ylcarbonyl)carbamothioyl]amino}-2-chlorobenzoic acid. Following Lipinski's Rule of Five, 5-{[(1-Benzofuran-2-ylcarbonyl)carbamothioyl]amino}-2-chlorobenzoic 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 5-{[(1-Benzofuran-2-ylcarbonyl)carbamothioyl]amino}-2-chlorobenzoic acid?
The CAS number of 5-{[(1-Benzofuran-2-ylcarbonyl)carbamothioyl]amino}-2-chlorobenzoic acid is 433950-38-0.
What is the molecular formula of 5-{[(1-Benzofuran-2-ylcarbonyl)carbamothioyl]amino}-2-chlorobenzoic acid?
The molecular formula of 5-{[(1-Benzofuran-2-ylcarbonyl)carbamothioyl]amino}-2-chlorobenzoic acid is C17H11ClN2O4S.
What is the molecular weight of 5-{[(1-Benzofuran-2-ylcarbonyl)carbamothioyl]amino}-2-chlorobenzoic acid?
The molecular weight of 5-{[(1-Benzofuran-2-ylcarbonyl)carbamothioyl]amino}-2-chlorobenzoic acid is 374.01 g/mol.
Where can I buy 5-{[(1-Benzofuran-2-ylcarbonyl)carbamothioyl]amino}-2-chlorobenzoic acid?
You can request a quote for 5-{[(1-Benzofuran-2-ylcarbonyl)carbamothioyl]amino}-2-chlorobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-{[(1-Benzofuran-2-ylcarbonyl)carbamothioyl]amino}-2-chlorobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-{[(1-Benzofuran-2-ylcarbonyl)carbamothioyl]amino}-2-chlorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.