![3,5-dichloro-2-[3-(4-chlorophenyl)prop-2-enoylcarbamothioylamino]benzoic acid structure](/static/products/5359/535956-53-7.webp)
3,5-dichloro-2-[3-(4-chlorophenyl)prop-2-enoylcarbamothioylamino]benzoic acid
TL;DR: 3,5-dichloro-2-[3-(4-chlorophenyl)prop-2-enoylcarbamothioylamino]benzoic acid (CAS 535956-53-7) is a chemical compound with molecular formula C17H11Cl3N2O3S and molecular weight 427.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dichloro-2-[3-(4-chlorophenyl)prop-2-enoylcarbamothioylamino]benzoic acid
Also Known As: 3,5-dichloro-2-[3-(4-chlorophenyl)prop-2-enoylcarbamothioylamino]benzoic acid, 3,5-dichloro-2-[3-(4-chlorophenyl)prop-2-enoylthiocarbamoylamino]benzoic Acid, 3,5-Dichloro-2-[[[[3-(4-chlorophenyl)-1-oxo-2-propenyl ]amino]thioxomethyl ]amino]-benzoic acid
| Molecular Formula | C17H11Cl3N2O3S |
|---|---|
| Molecular Weight | 427.96 g/mol |
| LogP | 4.8714 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 427.9556 |
| Heavy Atoms | 26 |
| Complexity | 898.8713 |
Chemical Identifiers
| CAS Number | 535956-53-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C=CC(=O)NC(=S)NC2=C(C=C(C=C2Cl)Cl)C(=O)O)Cl |
Product Overview
3,5-dichloro-2-[3-(4-chlorophenyl)prop-2-enoylcarbamothioylamino]benzoic acid (CAS 535956-53-7), with molecular formula C17H11Cl3N2O3S and molecular weight 427.96 g/mol. IUPAC: 3,5-dichloro-2-[3-(4-chlorophenyl)prop-2-enoylcarbamothioylamino]benzoic acid.
Chemical Property Profile of 3,5-dichloro-2-[3-(4-chlorophenyl)prop-2-enoylcarbamothioylamino]benzoic acid
Property Insights of 3,5-dichloro-2-[3-(4-chlorophenyl)prop-2-enoylcarbamothioylamino]benzoic acid
The XLogP value of 4.8714 indicates that 3,5-dichloro-2-[3-(4-chlorophenyl)prop-2-enoylcarbamothioylamino]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 3,5-dichloro-2-[3-(4-chlorophenyl)prop-2-enoylcarbamothioylamino]benzoic acid. Following Lipinski's Rule of Five, 3,5-dichloro-2-[3-(4-chlorophenyl)prop-2-enoylcarbamothioylamino]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 3,5-dichloro-2-[3-(4-chlorophenyl)prop-2-enoylcarbamothioylamino]benzoic acid?
The CAS number of 3,5-dichloro-2-[3-(4-chlorophenyl)prop-2-enoylcarbamothioylamino]benzoic acid is 535956-53-7.
What is the molecular formula of 3,5-dichloro-2-[3-(4-chlorophenyl)prop-2-enoylcarbamothioylamino]benzoic acid?
The molecular formula of 3,5-dichloro-2-[3-(4-chlorophenyl)prop-2-enoylcarbamothioylamino]benzoic acid is C17H11Cl3N2O3S.
What is the molecular weight of 3,5-dichloro-2-[3-(4-chlorophenyl)prop-2-enoylcarbamothioylamino]benzoic acid?
The molecular weight of 3,5-dichloro-2-[3-(4-chlorophenyl)prop-2-enoylcarbamothioylamino]benzoic acid is 427.96 g/mol.
Where can I buy 3,5-dichloro-2-[3-(4-chlorophenyl)prop-2-enoylcarbamothioylamino]benzoic acid?
You can request a quote for 3,5-dichloro-2-[3-(4-chlorophenyl)prop-2-enoylcarbamothioylamino]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-dichloro-2-[3-(4-chlorophenyl)prop-2-enoylcarbamothioylamino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,5-dichloro-2-[3-(4-chlorophenyl)prop-2-enoylcarbamothioylamino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.