![3-[({[5-(4-Bromophenyl)furan-2-yl]carbonyl}carbamothioyl)amino]benzoic acid structure](/static/products/4614/461402-58-4.webp)
3-[({[5-(4-Bromophenyl)furan-2-yl]carbonyl}carbamothioyl)amino]benzoic acid
TL;DR: 3-[({[5-(4-Bromophenyl)furan-2-yl]carbonyl}carbamothioyl)amino]benzoic acid (CAS 461402-58-4) is a chemical compound with molecular formula C19H13BrN2O4S and molecular weight 443.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[5-(4-bromophenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid
Also Known As: 3-[({[5-(4-bromophenyl)furan-2-yl]carbonyl}carbamothioyl)amino]benzoic acid, 3-[[5-(4-bromophenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid, 3-[[[[[5-(4-BROMOPHENYL)-2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID, 3-({[5-(4-Bromophenyl)furan-2-carbonyl]carbamothioyl}amino)benzoic acid, 3-[({[5-(4-bromophenyl)-2-furoyl]amino}carbonothioyl)amino]benzoic acid
| Molecular Formula | C19H13BrN2O4S |
|---|---|
| Molecular Weight | 443.98 g/mol |
| LogP | 4.5341 |
| Topological Polar Surface Area | 91.57 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 443.97794 |
| Heavy Atoms | 27 |
| Complexity | 1014.55896 |
Chemical Identifiers
| CAS Number | 461402-58-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=S)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)Br)C(=O)O |
Product Overview
3-[({[5-(4-Bromophenyl)furan-2-yl]carbonyl}carbamothioyl)amino]benzoic acid (CAS 461402-58-4), with molecular formula C19H13BrN2O4S and molecular weight 443.98 g/mol. IUPAC: 3-[[5-(4-bromophenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid.
Chemical Property Profile of 3-[({[5-(4-Bromophenyl)furan-2-yl]carbonyl}carbamothioyl)amino]benzoic acid
Property Insights of 3-[({[5-(4-Bromophenyl)furan-2-yl]carbonyl}carbamothioyl)amino]benzoic acid
The XLogP value of 4.5341 indicates that 3-[({[5-(4-Bromophenyl)furan-2-yl]carbonyl}carbamothioyl)amino]benzoic 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 3-[({[5-(4-Bromophenyl)furan-2-yl]carbonyl}carbamothioyl)amino]benzoic acid. Following Lipinski's Rule of Five, 3-[({[5-(4-Bromophenyl)furan-2-yl]carbonyl}carbamothioyl)amino]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 3-[({[5-(4-Bromophenyl)furan-2-yl]carbonyl}carbamothioyl)amino]benzoic acid?
The CAS number of 3-[({[5-(4-Bromophenyl)furan-2-yl]carbonyl}carbamothioyl)amino]benzoic acid is 461402-58-4.
What is the molecular formula of 3-[({[5-(4-Bromophenyl)furan-2-yl]carbonyl}carbamothioyl)amino]benzoic acid?
The molecular formula of 3-[({[5-(4-Bromophenyl)furan-2-yl]carbonyl}carbamothioyl)amino]benzoic acid is C19H13BrN2O4S.
What is the molecular weight of 3-[({[5-(4-Bromophenyl)furan-2-yl]carbonyl}carbamothioyl)amino]benzoic acid?
The molecular weight of 3-[({[5-(4-Bromophenyl)furan-2-yl]carbonyl}carbamothioyl)amino]benzoic acid is 443.98 g/mol.
Where can I buy 3-[({[5-(4-Bromophenyl)furan-2-yl]carbonyl}carbamothioyl)amino]benzoic acid?
You can request a quote for 3-[({[5-(4-Bromophenyl)furan-2-yl]carbonyl}carbamothioyl)amino]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[({[5-(4-Bromophenyl)furan-2-yl]carbonyl}carbamothioyl)amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[({[5-(4-Bromophenyl)furan-2-yl]carbonyl}carbamothioyl)amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.