![3-[({[5-(4-chlorophenyl)furan-2-yl]carbonyl}carbamothioyl)amino]-4-methylbenzoic acid structure](/static/products/461/461408-84-4.png)
3-[({[5-(4-chlorophenyl)furan-2-yl]carbonyl}carbamothioyl)amino]-4-methylbenzoic acid
TL;DR: 3-[({[5-(4-chlorophenyl)furan-2-yl]carbonyl}carbamothioyl)amino]-4-methylbenzoic acid (CAS 461408-84-4) is a chemical compound with molecular formula C20H15ClN2O4S and molecular weight 414.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[5-(4-chlorophenyl)furan-2-carbonyl]carbamothioylamino]-4-methylbenzoic acid
Also Known As: 3-[({[5-(4-chlorophenyl)furan-2-yl]carbonyl}carbamothioyl)amino]-4-methylbenzoic acid, 3-(3-(5-(4-chlorophenyl)furan-2-carbonyl)thioureido)-4-methylbenzoic acid, 3-[[5-(4-chlorophenyl)furan-2-carbonyl]carbamothioylamino]-4-methylbenzoic acid, 3-[[5-(4-chlorophenyl)furan-2-carbonyl]thiocarbamoylamino]-4-methyl-benzoic Acid, 3-{3-[5-(4-Chloro-phenyl)-furan-2-carbonyl]-thioureido}-4-methyl-benzoic acid
| Molecular Formula | C20H15ClN2O4S |
|---|---|
| Molecular Weight | 414.04 g/mol |
| LogP | 4.73342 |
| Topological Polar Surface Area | 91.57 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 414.0441 |
| Heavy Atoms | 28 |
| Complexity | 1060.3226 |
Chemical Identifiers
| CAS Number | 461408-84-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)Cl |
Product Overview
3-[({[5-(4-chlorophenyl)furan-2-yl]carbonyl}carbamothioyl)amino]-4-methylbenzoic acid (CAS 461408-84-4), with molecular formula C20H15ClN2O4S and molecular weight 414.04 g/mol. IUPAC: 3-[[5-(4-chlorophenyl)furan-2-carbonyl]carbamothioylamino]-4-methylbenzoic acid.
Chemical Property Profile of 3-[({[5-(4-chlorophenyl)furan-2-yl]carbonyl}carbamothioyl)amino]-4-methylbenzoic acid
Property Insights of 3-[({[5-(4-chlorophenyl)furan-2-yl]carbonyl}carbamothioyl)amino]-4-methylbenzoic acid
The XLogP value of 4.73342 indicates that 3-[({[5-(4-chlorophenyl)furan-2-yl]carbonyl}carbamothioyl)amino]-4-methylbenzoic 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-chlorophenyl)furan-2-yl]carbonyl}carbamothioyl)amino]-4-methylbenzoic acid. Following Lipinski's Rule of Five, 3-[({[5-(4-chlorophenyl)furan-2-yl]carbonyl}carbamothioyl)amino]-4-methylbenzoic 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-chlorophenyl)furan-2-yl]carbonyl}carbamothioyl)amino]-4-methylbenzoic acid?
The CAS number of 3-[({[5-(4-chlorophenyl)furan-2-yl]carbonyl}carbamothioyl)amino]-4-methylbenzoic acid is 461408-84-4.
What is the molecular formula of 3-[({[5-(4-chlorophenyl)furan-2-yl]carbonyl}carbamothioyl)amino]-4-methylbenzoic acid?
The molecular formula of 3-[({[5-(4-chlorophenyl)furan-2-yl]carbonyl}carbamothioyl)amino]-4-methylbenzoic acid is C20H15ClN2O4S.
What is the molecular weight of 3-[({[5-(4-chlorophenyl)furan-2-yl]carbonyl}carbamothioyl)amino]-4-methylbenzoic acid?
The molecular weight of 3-[({[5-(4-chlorophenyl)furan-2-yl]carbonyl}carbamothioyl)amino]-4-methylbenzoic acid is 414.04 g/mol.
Where can I buy 3-[({[5-(4-chlorophenyl)furan-2-yl]carbonyl}carbamothioyl)amino]-4-methylbenzoic acid?
You can request a quote for 3-[({[5-(4-chlorophenyl)furan-2-yl]carbonyl}carbamothioyl)amino]-4-methylbenzoic 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-chlorophenyl)furan-2-yl]carbonyl}carbamothioyl)amino]-4-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[({[5-(4-chlorophenyl)furan-2-yl]carbonyl}carbamothioyl)amino]-4-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.