![3-({[(3-Iodophenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid structure](/static/products/4339/433972-95-3.webp)
3-({[(3-Iodophenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid
TL;DR: 3-({[(3-Iodophenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid (CAS 433972-95-3) is a chemical compound with molecular formula C16H13IN2O3S and molecular weight 439.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3-iodobenzoyl)carbamothioylamino]-4-methylbenzoic acid
Also Known As: 3-(3-(3-iodobenzoyl)thioureido)-4-methylbenzoic acid, 3-({[(3-iodophenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid, 3-[(3-iodobenzoyl)carbamothioylamino]-4-methylbenzoic acid, 3-[(3-iodobenzoyl)thiocarbamoylamino]-4-methyl-benzoic Acid
| Molecular Formula | C16H13IN2O3S |
|---|---|
| Molecular Weight | 439.97 g/mol |
| LogP | 3.42462 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 439.96915 |
| Heavy Atoms | 23 |
| Complexity | 792.64484 |
Chemical Identifiers
| CAS Number | 433972-95-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=CC(=CC=C2)I |
Product Overview
3-({[(3-Iodophenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid (CAS 433972-95-3), with molecular formula C16H13IN2O3S and molecular weight 439.97 g/mol. IUPAC: 3-[(3-iodobenzoyl)carbamothioylamino]-4-methylbenzoic acid.
Chemical Property Profile of 3-({[(3-Iodophenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid
Property Insights of 3-({[(3-Iodophenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid
The XLogP value of 3.42462 indicates that 3-({[(3-Iodophenyl)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-({[(3-Iodophenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid. Following Lipinski's Rule of Five, 3-({[(3-Iodophenyl)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-({[(3-Iodophenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid?
The CAS number of 3-({[(3-Iodophenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid is 433972-95-3.
What is the molecular formula of 3-({[(3-Iodophenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid?
The molecular formula of 3-({[(3-Iodophenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid is C16H13IN2O3S.
What is the molecular weight of 3-({[(3-Iodophenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid?
The molecular weight of 3-({[(3-Iodophenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid is 439.97 g/mol.
Where can I buy 3-({[(3-Iodophenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid?
You can request a quote for 3-({[(3-Iodophenyl)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-({[(3-Iodophenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-({[(3-Iodophenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.