![5-({[(5-Bromonaphthalen-1-yl)carbonyl]carbamothioyl}amino)-2-chlorobenzoic acid structure](/static/products/5359/535945-34-7.webp)
5-({[(5-Bromonaphthalen-1-yl)carbonyl]carbamothioyl}amino)-2-chlorobenzoic acid
TL;DR: 5-({[(5-Bromonaphthalen-1-yl)carbonyl]carbamothioyl}amino)-2-chlorobenzoic acid (CAS 535945-34-7) is a chemical compound with molecular formula C19H12BrClN2O3S and molecular weight 461.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(5-bromonaphthalene-1-carbonyl)carbamothioylamino]-2-chlorobenzoic acid
Also Known As: 5-(3-(5-bromo-1-naphthoyl)thioureido)-2-chlorobenzoic acid, 5-({[(5-bromonaphthalen-1-yl)carbonyl]carbamothioyl}amino)-2-chlorobenzoic acid, 5-({[(5-bromo-1-naphthoyl)amino]carbonothioyl}amino)-2-chlorobenzoic acid, 5-[(5-bromonaphthalene-1-carbonyl)carbamothioylamino]-2-chlorobenzoic acid, 5-[(5-bromonaphthalene-1-carbonyl)thiocarbamoylamino]-2-chloro-benzoic Acid
| Molecular Formula | C19H12BrClN2O3S |
|---|---|
| Molecular Weight | 461.94 g/mol |
| LogP | 5.0807 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 461.94406 |
| Heavy Atoms | 27 |
| Complexity | 1087.7379 |
Chemical Identifiers
| CAS Number | 535945-34-7 |
|---|---|
| SMILES | C1=CC2=C(C=CC=C2Br)C(=C1)C(=O)NC(=S)NC3=CC(=C(C=C3)Cl)C(=O)O |
Product Overview
5-({[(5-Bromonaphthalen-1-yl)carbonyl]carbamothioyl}amino)-2-chlorobenzoic acid (CAS 535945-34-7), with molecular formula C19H12BrClN2O3S and molecular weight 461.94 g/mol. IUPAC: 5-[(5-bromonaphthalene-1-carbonyl)carbamothioylamino]-2-chlorobenzoic acid.
Chemical Property Profile of 5-({[(5-Bromonaphthalen-1-yl)carbonyl]carbamothioyl}amino)-2-chlorobenzoic acid
Property Insights of 5-({[(5-Bromonaphthalen-1-yl)carbonyl]carbamothioyl}amino)-2-chlorobenzoic acid
The XLogP value of 5.0807 indicates that 5-({[(5-Bromonaphthalen-1-yl)carbonyl]carbamothioyl}amino)-2-chlorobenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-({[(5-Bromonaphthalen-1-yl)carbonyl]carbamothioyl}amino)-2-chlorobenzoic acid. Following Lipinski's Rule of Five, 5-({[(5-Bromonaphthalen-1-yl)carbonyl]carbamothioyl}amino)-2-chlorobenzoic acid has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-({[(5-Bromonaphthalen-1-yl)carbonyl]carbamothioyl}amino)-2-chlorobenzoic acid?
The CAS number of 5-({[(5-Bromonaphthalen-1-yl)carbonyl]carbamothioyl}amino)-2-chlorobenzoic acid is 535945-34-7.
What is the molecular formula of 5-({[(5-Bromonaphthalen-1-yl)carbonyl]carbamothioyl}amino)-2-chlorobenzoic acid?
The molecular formula of 5-({[(5-Bromonaphthalen-1-yl)carbonyl]carbamothioyl}amino)-2-chlorobenzoic acid is C19H12BrClN2O3S.
What is the molecular weight of 5-({[(5-Bromonaphthalen-1-yl)carbonyl]carbamothioyl}amino)-2-chlorobenzoic acid?
The molecular weight of 5-({[(5-Bromonaphthalen-1-yl)carbonyl]carbamothioyl}amino)-2-chlorobenzoic acid is 461.94 g/mol.
Where can I buy 5-({[(5-Bromonaphthalen-1-yl)carbonyl]carbamothioyl}amino)-2-chlorobenzoic acid?
You can request a quote for 5-({[(5-Bromonaphthalen-1-yl)carbonyl]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-({[(5-Bromonaphthalen-1-yl)carbonyl]carbamothioyl}amino)-2-chlorobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-({[(5-Bromonaphthalen-1-yl)carbonyl]carbamothioyl}amino)-2-chlorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.