![3-({[(2-Bromophenyl)carbonyl]carbamothioyl}amino)-2-methylbenzoic acid structure](/static/products/4352/435289-13-7.webp)
3-({[(2-Bromophenyl)carbonyl]carbamothioyl}amino)-2-methylbenzoic acid
TL;DR: 3-({[(2-Bromophenyl)carbonyl]carbamothioyl}amino)-2-methylbenzoic acid (CAS 435289-13-7) is a chemical compound with molecular formula C16H13BrN2O3S and molecular weight 391.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-bromobenzoyl)carbamothioylamino]-2-methylbenzoic acid
Also Known As: 3-(3-(2-bromobenzoyl)thioureido)-2-methylbenzoic acid, 3-[(2-bromobenzoyl)carbamothioylamino]-2-methylbenzoic acid, 3-({[(2-bromophenyl)carbonyl]carbamothioyl}amino)-2-methylbenzoic acid, 3-[(2-bromobenzoyl)thiocarbamoylamino]-2-methyl-benzoic Acid
| Molecular Formula | C16H13BrN2O3S |
|---|---|
| Molecular Weight | 391.98 g/mol |
| LogP | 3.58252 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 391.98303 |
| Heavy Atoms | 23 |
| Complexity | 792.64484 |
Chemical Identifiers
| CAS Number | 435289-13-7 |
|---|---|
| SMILES | CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC=CC=C2Br)C(=O)O |
Product Overview
3-({[(2-Bromophenyl)carbonyl]carbamothioyl}amino)-2-methylbenzoic acid (CAS 435289-13-7), with molecular formula C16H13BrN2O3S and molecular weight 391.98 g/mol. IUPAC: 3-[(2-bromobenzoyl)carbamothioylamino]-2-methylbenzoic acid.
Chemical Property Profile of 3-({[(2-Bromophenyl)carbonyl]carbamothioyl}amino)-2-methylbenzoic acid
Property Insights of 3-({[(2-Bromophenyl)carbonyl]carbamothioyl}amino)-2-methylbenzoic acid
The XLogP value of 3.58252 indicates that 3-({[(2-Bromophenyl)carbonyl]carbamothioyl}amino)-2-methylbenzoic 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 3-({[(2-Bromophenyl)carbonyl]carbamothioyl}amino)-2-methylbenzoic acid. Following Lipinski's Rule of Five, 3-({[(2-Bromophenyl)carbonyl]carbamothioyl}amino)-2-methylbenzoic acid has 3 hydrogen bond donor(s) and 3 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-({[(2-Bromophenyl)carbonyl]carbamothioyl}amino)-2-methylbenzoic acid?
The CAS number of 3-({[(2-Bromophenyl)carbonyl]carbamothioyl}amino)-2-methylbenzoic acid is 435289-13-7.
What is the molecular formula of 3-({[(2-Bromophenyl)carbonyl]carbamothioyl}amino)-2-methylbenzoic acid?
The molecular formula of 3-({[(2-Bromophenyl)carbonyl]carbamothioyl}amino)-2-methylbenzoic acid is C16H13BrN2O3S.
What is the molecular weight of 3-({[(2-Bromophenyl)carbonyl]carbamothioyl}amino)-2-methylbenzoic acid?
The molecular weight of 3-({[(2-Bromophenyl)carbonyl]carbamothioyl}amino)-2-methylbenzoic acid is 391.98 g/mol.
Where can I buy 3-({[(2-Bromophenyl)carbonyl]carbamothioyl}amino)-2-methylbenzoic acid?
You can request a quote for 3-({[(2-Bromophenyl)carbonyl]carbamothioyl}amino)-2-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-({[(2-Bromophenyl)carbonyl]carbamothioyl}amino)-2-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-({[(2-Bromophenyl)carbonyl]carbamothioyl}amino)-2-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.