![3-({[(5-Bromonaphthalen-1-yl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid structure](/static/products/5301/530138-58-0.webp)
3-({[(5-Bromonaphthalen-1-yl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid
TL;DR: 3-({[(5-Bromonaphthalen-1-yl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid (CAS 530138-58-0) is a chemical compound with molecular formula C20H15BrN2O3S and molecular weight 442.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5-bromonaphthalene-1-carbonyl)carbamothioylamino]-4-methylbenzoic acid
Also Known As: 3-({[(5-bromo-1-naphthoyl)amino]carbonothioyl}amino)-4-methylbenzoic acid, 3-[(5-bromonaphthalene-1-carbonyl)carbamothioylamino]-4-methylbenzoic acid, 3-[(5-bromonaphthalene-1-carbonyl)thiocarbamoylamino]-4-methyl-benzoic Acid, 3-[3-(5-Bromo-naphthalene-1-carbonyl)-thioureido]-4-methyl-benzoic acid, 3-({[(5-bromonaphthalen-1-yl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid
| Molecular Formula | C20H15BrN2O3S |
|---|---|
| Molecular Weight | 442.00 g/mol |
| LogP | 4.73572 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 441.9987 |
| Heavy Atoms | 27 |
| Complexity | 1082.0099 |
Chemical Identifiers
| CAS Number | 530138-58-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=CC=CC3=C2C=CC=C3Br |
Product Overview
3-({[(5-Bromonaphthalen-1-yl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid (CAS 530138-58-0), with molecular formula C20H15BrN2O3S and molecular weight 442.00 g/mol. IUPAC: 3-[(5-bromonaphthalene-1-carbonyl)carbamothioylamino]-4-methylbenzoic acid.
Chemical Property Profile of 3-({[(5-Bromonaphthalen-1-yl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid
Property Insights of 3-({[(5-Bromonaphthalen-1-yl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid
The XLogP value of 4.73572 indicates that 3-({[(5-Bromonaphthalen-1-yl)carbonyl]carbamothioyl}amino)-4-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-({[(5-Bromonaphthalen-1-yl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid. Following Lipinski's Rule of Five, 3-({[(5-Bromonaphthalen-1-yl)carbonyl]carbamothioyl}amino)-4-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-({[(5-Bromonaphthalen-1-yl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid?
The CAS number of 3-({[(5-Bromonaphthalen-1-yl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid is 530138-58-0.
What is the molecular formula of 3-({[(5-Bromonaphthalen-1-yl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid?
The molecular formula of 3-({[(5-Bromonaphthalen-1-yl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid is C20H15BrN2O3S.
What is the molecular weight of 3-({[(5-Bromonaphthalen-1-yl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid?
The molecular weight of 3-({[(5-Bromonaphthalen-1-yl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid is 442.00 g/mol.
Where can I buy 3-({[(5-Bromonaphthalen-1-yl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid?
You can request a quote for 3-({[(5-Bromonaphthalen-1-yl)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-Bromonaphthalen-1-yl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-({[(5-Bromonaphthalen-1-yl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.