![3-({[(5-Bromo-2-methoxyphenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid structure](/static/products/4337/433708-01-1.webp)
3-({[(5-Bromo-2-methoxyphenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid
TL;DR: 3-({[(5-Bromo-2-methoxyphenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid (CAS 433708-01-1) is a chemical compound with molecular formula C17H15BrN2O4S and molecular weight 421.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5-bromo-2-methoxybenzoyl)carbamothioylamino]-4-methylbenzoic acid
Also Known As: 3-[(5-bromo-2-methoxy-benzoyl)thiocarbamoylamino]-4-methyl-benzoic Acid, 3-[(5-bromo-2-methoxybenzoyl)carbamothioylamino]-4-methylbenzoic acid, 3-[3-(5-Bromo-2-methoxy-benzoyl)-thioureido]-4-methyl-benzoic acid, 3-({[(5-bromo-2-methoxybenzoyl)amino]carbonothioyl}amino)-4-methylbenzoic acid, 3-({[(5-bromo-2-methoxyphenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid
| Molecular Formula | C17H15BrN2O4S |
|---|---|
| Molecular Weight | 421.99 g/mol |
| LogP | 3.59112 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 421.9936 |
| Heavy Atoms | 25 |
| Complexity | 854.5366 |
Chemical Identifiers
| CAS Number | 433708-01-1 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OC |
Product Overview
3-({[(5-Bromo-2-methoxyphenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid (CAS 433708-01-1), with molecular formula C17H15BrN2O4S and molecular weight 421.99 g/mol. IUPAC: 3-[(5-bromo-2-methoxybenzoyl)carbamothioylamino]-4-methylbenzoic acid.
Chemical Property Profile of 3-({[(5-Bromo-2-methoxyphenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid
Property Insights of 3-({[(5-Bromo-2-methoxyphenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid
The XLogP value of 3.59112 indicates that 3-({[(5-Bromo-2-methoxyphenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-({[(5-Bromo-2-methoxyphenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid. Following Lipinski's Rule of Five, 3-({[(5-Bromo-2-methoxyphenyl)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-Bromo-2-methoxyphenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid?
The CAS number of 3-({[(5-Bromo-2-methoxyphenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid is 433708-01-1.
What is the molecular formula of 3-({[(5-Bromo-2-methoxyphenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid?
The molecular formula of 3-({[(5-Bromo-2-methoxyphenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid is C17H15BrN2O4S.
What is the molecular weight of 3-({[(5-Bromo-2-methoxyphenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid?
The molecular weight of 3-({[(5-Bromo-2-methoxyphenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid is 421.99 g/mol.
Where can I buy 3-({[(5-Bromo-2-methoxyphenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid?
You can request a quote for 3-({[(5-Bromo-2-methoxyphenyl)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-Bromo-2-methoxyphenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-({[(5-Bromo-2-methoxyphenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.