![3-({[(2E)-3-(2,4-dichlorophenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid structure](/static/products/4712/471275-98-6.webp)
3-({[(2E)-3-(2,4-dichlorophenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid
TL;DR: 3-({[(2E)-3-(2,4-dichlorophenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid (CAS 471275-98-6) is a chemical compound with molecular formula C17H12Cl2N2O3S and molecular weight 393.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]carbamothioylamino]benzoic acid
Also Known As: 3-({[(2E)-3-(2,4-dichlorophenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid, (E)-3-(3-(3-(2,4-dichlorophenyl)acryloyl)thioureido)benzoic acid, 3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]carbamothioylamino]benzoic acid, 3-[[[[3- -1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOICACID, 3-[3-(2,4-dichlorophenyl)prop-2-enoylthiocarbamoylamino]benzoic Acid
| Molecular Formula | C17H12Cl2N2O3S |
|---|---|
| Molecular Weight | 393.99 g/mol |
| LogP | 4.218 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 393.99457 |
| Heavy Atoms | 25 |
| Complexity | 868.7215 |
Chemical Identifiers
| CAS Number | 471275-98-6 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=S)NC(=O)/C=C/C2=C(C=C(C=C2)Cl)Cl)C(=O)O |
Product Overview
3-({[(2E)-3-(2,4-dichlorophenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid (CAS 471275-98-6), with molecular formula C17H12Cl2N2O3S and molecular weight 393.99 g/mol. IUPAC: 3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]carbamothioylamino]benzoic acid.
Chemical Property Profile of 3-({[(2E)-3-(2,4-dichlorophenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid
Property Insights of 3-({[(2E)-3-(2,4-dichlorophenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid
The XLogP value of 4.218 indicates that 3-({[(2E)-3-(2,4-dichlorophenyl)prop-2-enoyl]carbamothioyl}amino)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-({[(2E)-3-(2,4-dichlorophenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid. Following Lipinski's Rule of Five, 3-({[(2E)-3-(2,4-dichlorophenyl)prop-2-enoyl]carbamothioyl}amino)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-({[(2E)-3-(2,4-dichlorophenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid?
The CAS number of 3-({[(2E)-3-(2,4-dichlorophenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid is 471275-98-6.
What is the molecular formula of 3-({[(2E)-3-(2,4-dichlorophenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid?
The molecular formula of 3-({[(2E)-3-(2,4-dichlorophenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid is C17H12Cl2N2O3S.
What is the molecular weight of 3-({[(2E)-3-(2,4-dichlorophenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid?
The molecular weight of 3-({[(2E)-3-(2,4-dichlorophenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid is 393.99 g/mol.
Where can I buy 3-({[(2E)-3-(2,4-dichlorophenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid?
You can request a quote for 3-({[(2E)-3-(2,4-dichlorophenyl)prop-2-enoyl]carbamothioyl}amino)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-({[(2E)-3-(2,4-dichlorophenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-({[(2E)-3-(2,4-dichlorophenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.