![3-[[5-(4-Bromophenyl)furan-2-carbonyl]carbamothioylamino]-4-methylbenzoic acid structure](/static/products/4613/461399-85-9.webp)
3-[[5-(4-Bromophenyl)furan-2-carbonyl]carbamothioylamino]-4-methylbenzoic acid
TL;DR: 3-[[5-(4-Bromophenyl)furan-2-carbonyl]carbamothioylamino]-4-methylbenzoic acid (CAS 461399-85-9) is a chemical compound with molecular formula C20H15BrN2O4S and molecular weight 457.99 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]-4-methylbenzoic acid
Also Known As: AP-970/41072573, 3-[[5-(4-bromophenyl)furan-2-carbonyl]carbamothioylamino]-4-methylbenzoic acid, 3-[[[[[5-(4-BROMOPHENYL)-2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]-4-METHYL-BENZOIC ACID, 3-({[5-(4-Bromophenyl)furan-2-carbonyl]carbamothioyl}amino)-4-methylbenzoic acid, 3-[({[5-(4-bromophenyl)-2-furoyl]amino}carbonothioyl)amino]-4-methylbenzoic acid
| Molecular Formula | C20H15BrN2O4S |
|---|---|
| Molecular Weight | 457.99 g/mol |
| LogP | 4.84252 |
| Topological Polar Surface Area | 91.57 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 457.9936 |
| Heavy Atoms | 28 |
| Complexity | 1060.3226 |
Chemical Identifiers
| CAS Number | 461399-85-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)Br |
Product Overview
3-[[5-(4-Bromophenyl)furan-2-carbonyl]carbamothioylamino]-4-methylbenzoic acid (CAS 461399-85-9), with molecular formula C20H15BrN2O4S and molecular weight 457.99 g/mol. IUPAC: 3-[[5-(4-bromophenyl)furan-2-carbonyl]carbamothioylamino]-4-methylbenzoic acid.
Chemical Property Profile of 3-[[5-(4-Bromophenyl)furan-2-carbonyl]carbamothioylamino]-4-methylbenzoic acid
Property Insights of 3-[[5-(4-Bromophenyl)furan-2-carbonyl]carbamothioylamino]-4-methylbenzoic acid
The XLogP value of 4.84252 indicates that 3-[[5-(4-Bromophenyl)furan-2-carbonyl]carbamothioylamino]-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-Bromophenyl)furan-2-carbonyl]carbamothioylamino]-4-methylbenzoic acid. Following Lipinski's Rule of Five, 3-[[5-(4-Bromophenyl)furan-2-carbonyl]carbamothioylamino]-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-Bromophenyl)furan-2-carbonyl]carbamothioylamino]-4-methylbenzoic acid?
The CAS number of 3-[[5-(4-Bromophenyl)furan-2-carbonyl]carbamothioylamino]-4-methylbenzoic acid is 461399-85-9.
What is the molecular formula of 3-[[5-(4-Bromophenyl)furan-2-carbonyl]carbamothioylamino]-4-methylbenzoic acid?
The molecular formula of 3-[[5-(4-Bromophenyl)furan-2-carbonyl]carbamothioylamino]-4-methylbenzoic acid is C20H15BrN2O4S.
What is the molecular weight of 3-[[5-(4-Bromophenyl)furan-2-carbonyl]carbamothioylamino]-4-methylbenzoic acid?
The molecular weight of 3-[[5-(4-Bromophenyl)furan-2-carbonyl]carbamothioylamino]-4-methylbenzoic acid is 457.99 g/mol.
Where can I buy 3-[[5-(4-Bromophenyl)furan-2-carbonyl]carbamothioylamino]-4-methylbenzoic acid?
You can request a quote for 3-[[5-(4-Bromophenyl)furan-2-carbonyl]carbamothioylamino]-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-Bromophenyl)furan-2-carbonyl]carbamothioylamino]-4-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[[5-(4-Bromophenyl)furan-2-carbonyl]carbamothioylamino]-4-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.