![2-[[5-(4-Bromophenyl)furan-2-carbonyl]carbamothioylamino]-5-chlorobenzoic acid structure](/static/products/5329/532981-92-3.webp)
2-[[5-(4-Bromophenyl)furan-2-carbonyl]carbamothioylamino]-5-chlorobenzoic acid
TL;DR: 2-[[5-(4-Bromophenyl)furan-2-carbonyl]carbamothioylamino]-5-chlorobenzoic acid (CAS 532981-92-3) is a chemical compound with molecular formula C19H12BrClN2O4S and molecular weight 477.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-bromophenyl)furan-2-carbonyl]carbamothioylamino]-5-chlorobenzoic acid
Also Known As: 2-[[[[[5- -2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]-5-CHLORO-BENZOICACID, 2-[[5-(4-bromophenyl)furan-2-carbonyl]carbamothioylamino]-5-chlorobenzoic acid, 2-[[5-(4-bromophenyl)furan-2-carbonyl]thiocarbamoylamino]-5-chloro-benzoic Acid, 2-[[[[[5-(4-Bromophenyl)-2-furanyl ]carbonyl ]amino]thioxomethyl ]amino]-5-chloro-benzoic acid
| Molecular Formula | C19H12BrClN2O4S |
|---|---|
| Molecular Weight | 477.94 g/mol |
| LogP | 5.1875 |
| Topological Polar Surface Area | 91.57 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 477.93896 |
| Heavy Atoms | 28 |
| Complexity | 1066.0505 |
Chemical Identifiers
| CAS Number | 532981-92-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CC=C(O2)C(=O)NC(=S)NC3=C(C=C(C=C3)Cl)C(=O)O)Br |
Product Overview
2-[[5-(4-Bromophenyl)furan-2-carbonyl]carbamothioylamino]-5-chlorobenzoic acid (CAS 532981-92-3), with molecular formula C19H12BrClN2O4S and molecular weight 477.94 g/mol. IUPAC: 2-[[5-(4-bromophenyl)furan-2-carbonyl]carbamothioylamino]-5-chlorobenzoic acid.
Chemical Property Profile of 2-[[5-(4-Bromophenyl)furan-2-carbonyl]carbamothioylamino]-5-chlorobenzoic acid
Property Insights of 2-[[5-(4-Bromophenyl)furan-2-carbonyl]carbamothioylamino]-5-chlorobenzoic acid
The XLogP value of 5.1875 indicates that 2-[[5-(4-Bromophenyl)furan-2-carbonyl]carbamothioylamino]-5-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 2-[[5-(4-Bromophenyl)furan-2-carbonyl]carbamothioylamino]-5-chlorobenzoic acid. Following Lipinski's Rule of Five, 2-[[5-(4-Bromophenyl)furan-2-carbonyl]carbamothioylamino]-5-chlorobenzoic acid has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[[5-(4-Bromophenyl)furan-2-carbonyl]carbamothioylamino]-5-chlorobenzoic acid?
The CAS number of 2-[[5-(4-Bromophenyl)furan-2-carbonyl]carbamothioylamino]-5-chlorobenzoic acid is 532981-92-3.
What is the molecular formula of 2-[[5-(4-Bromophenyl)furan-2-carbonyl]carbamothioylamino]-5-chlorobenzoic acid?
The molecular formula of 2-[[5-(4-Bromophenyl)furan-2-carbonyl]carbamothioylamino]-5-chlorobenzoic acid is C19H12BrClN2O4S.
What is the molecular weight of 2-[[5-(4-Bromophenyl)furan-2-carbonyl]carbamothioylamino]-5-chlorobenzoic acid?
The molecular weight of 2-[[5-(4-Bromophenyl)furan-2-carbonyl]carbamothioylamino]-5-chlorobenzoic acid is 477.94 g/mol.
Where can I buy 2-[[5-(4-Bromophenyl)furan-2-carbonyl]carbamothioylamino]-5-chlorobenzoic acid?
You can request a quote for 2-[[5-(4-Bromophenyl)furan-2-carbonyl]carbamothioylamino]-5-chlorobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[5-(4-Bromophenyl)furan-2-carbonyl]carbamothioylamino]-5-chlorobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[[5-(4-Bromophenyl)furan-2-carbonyl]carbamothioylamino]-5-chlorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.