![3-[[2-(2,4-Dichlorophenoxy)acetyl]carbamothioylamino]benzoic acid structure](/static/products/4336/433690-46-1.webp)
3-[[2-(2,4-Dichlorophenoxy)acetyl]carbamothioylamino]benzoic acid
TL;DR: 3-[[2-(2,4-Dichlorophenoxy)acetyl]carbamothioylamino]benzoic acid (CAS 433690-46-1) is a chemical compound with molecular formula C16H12Cl2N2O4S and molecular weight 397.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2-(2,4-dichlorophenoxy)acetyl]carbamothioylamino]benzoic acid
Also Known As: 3-[[2-(2,4-dichlorophenoxy)acetyl]carbamothioylamino]benzoic acid, 3-({[(2,4-Dichlorophenoxy)acetyl]carbamothioyl}amino)benzoic acid, 3-[[2-(2,4-dichlorophenoxy)acetyl]thiocarbamoylamino]benzoic Acid
| Molecular Formula | C16H12Cl2N2O4S |
|---|---|
| Molecular Weight | 397.99 g/mol |
| LogP | 3.5836 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 397.98947 |
| Heavy Atoms | 25 |
| Complexity | 829.53204 |
Chemical Identifiers
| CAS Number | 433690-46-1 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=S)NC(=O)COC2=C(C=C(C=C2)Cl)Cl)C(=O)O |
Product Overview
3-[[2-(2,4-Dichlorophenoxy)acetyl]carbamothioylamino]benzoic acid (CAS 433690-46-1), with molecular formula C16H12Cl2N2O4S and molecular weight 397.99 g/mol. IUPAC: 3-[[2-(2,4-dichlorophenoxy)acetyl]carbamothioylamino]benzoic acid.
Chemical Property Profile of 3-[[2-(2,4-Dichlorophenoxy)acetyl]carbamothioylamino]benzoic acid
Property Insights of 3-[[2-(2,4-Dichlorophenoxy)acetyl]carbamothioylamino]benzoic acid
The XLogP value of 3.5836 indicates that 3-[[2-(2,4-Dichlorophenoxy)acetyl]carbamothioylamino]benzoic 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-[[2-(2,4-Dichlorophenoxy)acetyl]carbamothioylamino]benzoic acid. Following Lipinski's Rule of Five, 3-[[2-(2,4-Dichlorophenoxy)acetyl]carbamothioylamino]benzoic 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-[[2-(2,4-Dichlorophenoxy)acetyl]carbamothioylamino]benzoic acid?
The CAS number of 3-[[2-(2,4-Dichlorophenoxy)acetyl]carbamothioylamino]benzoic acid is 433690-46-1.
What is the molecular formula of 3-[[2-(2,4-Dichlorophenoxy)acetyl]carbamothioylamino]benzoic acid?
The molecular formula of 3-[[2-(2,4-Dichlorophenoxy)acetyl]carbamothioylamino]benzoic acid is C16H12Cl2N2O4S.
What is the molecular weight of 3-[[2-(2,4-Dichlorophenoxy)acetyl]carbamothioylamino]benzoic acid?
The molecular weight of 3-[[2-(2,4-Dichlorophenoxy)acetyl]carbamothioylamino]benzoic acid is 397.99 g/mol.
Where can I buy 3-[[2-(2,4-Dichlorophenoxy)acetyl]carbamothioylamino]benzoic acid?
You can request a quote for 3-[[2-(2,4-Dichlorophenoxy)acetyl]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 3-[[2-(2,4-Dichlorophenoxy)acetyl]carbamothioylamino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[[2-(2,4-Dichlorophenoxy)acetyl]carbamothioylamino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.