![5-Chloro-2-[(3-iodobenzoyl)carbamothioylamino]benzoic acid structure](/static/products/5315/531539-93-2.webp)
5-Chloro-2-[(3-iodobenzoyl)carbamothioylamino]benzoic acid
TL;DR: 5-Chloro-2-[(3-iodobenzoyl)carbamothioylamino]benzoic acid (CAS 531539-93-2) is a chemical compound with molecular formula C15H10ClIN2O3S and molecular weight 459.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-2-[(3-iodobenzoyl)carbamothioylamino]benzoic acid
Also Known As: 5-Chloro-2-(3-(3-iodobenzoyl)thioureido)benzoic acid, 5-chloro-2-[(3-iodobenzoyl)carbamothioylamino]benzoic acid, 5-chloro-2-({[(3-iodophenyl)carbonyl]carbamothioyl}amino)benzoic acid, 5-chloro-2-[(3-iodobenzoyl)thiocarbamoylamino]benzoic Acid, 5-CHLORO-2-[[[ AMINO]THIOXOMETHYL]AMINO]-BENZOICACID
| Molecular Formula | C15H10ClIN2O3S |
|---|---|
| Molecular Weight | 459.91 g/mol |
| LogP | 3.7696 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 459.91455 |
| Heavy Atoms | 23 |
| Complexity | 798.0415 |
Chemical Identifiers
| CAS Number | 531539-93-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)I)C(=O)NC(=S)NC2=C(C=C(C=C2)Cl)C(=O)O |
Product Overview
5-Chloro-2-[(3-iodobenzoyl)carbamothioylamino]benzoic acid (CAS 531539-93-2), with molecular formula C15H10ClIN2O3S and molecular weight 459.91 g/mol. IUPAC: 5-chloro-2-[(3-iodobenzoyl)carbamothioylamino]benzoic acid.
Chemical Property Profile of 5-Chloro-2-[(3-iodobenzoyl)carbamothioylamino]benzoic acid
Property Insights of 5-Chloro-2-[(3-iodobenzoyl)carbamothioylamino]benzoic acid
The XLogP value of 3.7696 indicates that 5-Chloro-2-[(3-iodobenzoyl)carbamothioylamino]benzoic 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-Chloro-2-[(3-iodobenzoyl)carbamothioylamino]benzoic acid. Following Lipinski's Rule of Five, 5-Chloro-2-[(3-iodobenzoyl)carbamothioylamino]benzoic 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 5-Chloro-2-[(3-iodobenzoyl)carbamothioylamino]benzoic acid?
The CAS number of 5-Chloro-2-[(3-iodobenzoyl)carbamothioylamino]benzoic acid is 531539-93-2.
What is the molecular formula of 5-Chloro-2-[(3-iodobenzoyl)carbamothioylamino]benzoic acid?
The molecular formula of 5-Chloro-2-[(3-iodobenzoyl)carbamothioylamino]benzoic acid is C15H10ClIN2O3S.
What is the molecular weight of 5-Chloro-2-[(3-iodobenzoyl)carbamothioylamino]benzoic acid?
The molecular weight of 5-Chloro-2-[(3-iodobenzoyl)carbamothioylamino]benzoic acid is 459.91 g/mol.
Where can I buy 5-Chloro-2-[(3-iodobenzoyl)carbamothioylamino]benzoic acid?
You can request a quote for 5-Chloro-2-[(3-iodobenzoyl)carbamothioylamino]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-2-[(3-iodobenzoyl)carbamothioylamino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-2-[(3-iodobenzoyl)carbamothioylamino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.