![2-chloro-5-({[(2E)-3-(furan-2-yl)prop-2-enoyl]carbamothioyl}amino)benzoic acid structure](/static/products/4342/434286-87-0.webp)
2-chloro-5-({[(2E)-3-(furan-2-yl)prop-2-enoyl]carbamothioyl}amino)benzoic acid
TL;DR: 2-chloro-5-({[(2E)-3-(furan-2-yl)prop-2-enoyl]carbamothioyl}amino)benzoic acid (CAS 434286-87-0) is a chemical compound with molecular formula C15H11ClN2O4S and molecular weight 350.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-5-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]benzoic acid
Also Known As: (E)-2-chloro-5-(3-(3-(furan-2-yl)acryloyl)thioureido)benzoic acid, 2-Chloro-5-[[[[3-(2-furanyl)-1-oxo-2-propenyl]amino]thioxomethyl]amino]-benzoic acid, 2-chloro-5-[3-(2-furyl)prop-2-enoylthiocarbamoylamino]benzoic Acid, 2-chloro-5-({[(2E)-3-(furan-2-yl)prop-2-enoyl]carbamothioyl}amino)benzoic acid, 2-chloro-5-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]benzoic acid
| Molecular Formula | C15H11ClN2O4S |
|---|---|
| Molecular Weight | 350.01 g/mol |
| LogP | 3.1576 |
| Topological Polar Surface Area | 91.57 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 350.01282 |
| Heavy Atoms | 23 |
| Complexity | 771.789 |
Chemical Identifiers
| CAS Number | 434286-87-0 |
|---|---|
| SMILES | C1=COC(=C1)/C=C/C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)O |
Product Overview
2-chloro-5-({[(2E)-3-(furan-2-yl)prop-2-enoyl]carbamothioyl}amino)benzoic acid (CAS 434286-87-0), with molecular formula C15H11ClN2O4S and molecular weight 350.01 g/mol. IUPAC: 2-chloro-5-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]benzoic acid.
Chemical Property Profile of 2-chloro-5-({[(2E)-3-(furan-2-yl)prop-2-enoyl]carbamothioyl}amino)benzoic acid
Property Insights of 2-chloro-5-({[(2E)-3-(furan-2-yl)prop-2-enoyl]carbamothioyl}amino)benzoic acid
The XLogP value of 3.1576 indicates that 2-chloro-5-({[(2E)-3-(furan-2-yl)prop-2-enoyl]carbamothioyl}amino)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-chloro-5-({[(2E)-3-(furan-2-yl)prop-2-enoyl]carbamothioyl}amino)benzoic acid. Following Lipinski's Rule of Five, 2-chloro-5-({[(2E)-3-(furan-2-yl)prop-2-enoyl]carbamothioyl}amino)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 2-chloro-5-({[(2E)-3-(furan-2-yl)prop-2-enoyl]carbamothioyl}amino)benzoic acid?
The CAS number of 2-chloro-5-({[(2E)-3-(furan-2-yl)prop-2-enoyl]carbamothioyl}amino)benzoic acid is 434286-87-0.
What is the molecular formula of 2-chloro-5-({[(2E)-3-(furan-2-yl)prop-2-enoyl]carbamothioyl}amino)benzoic acid?
The molecular formula of 2-chloro-5-({[(2E)-3-(furan-2-yl)prop-2-enoyl]carbamothioyl}amino)benzoic acid is C15H11ClN2O4S.
What is the molecular weight of 2-chloro-5-({[(2E)-3-(furan-2-yl)prop-2-enoyl]carbamothioyl}amino)benzoic acid?
The molecular weight of 2-chloro-5-({[(2E)-3-(furan-2-yl)prop-2-enoyl]carbamothioyl}amino)benzoic acid is 350.01 g/mol.
Where can I buy 2-chloro-5-({[(2E)-3-(furan-2-yl)prop-2-enoyl]carbamothioyl}amino)benzoic acid?
You can request a quote for 2-chloro-5-({[(2E)-3-(furan-2-yl)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 2-chloro-5-({[(2E)-3-(furan-2-yl)prop-2-enoyl]carbamothioyl}amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-5-({[(2E)-3-(furan-2-yl)prop-2-enoyl]carbamothioyl}amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.