![4-Chloro-3-[3-(furan-2-yl)prop-2-enoylcarbamothioylamino]benzoic acid structure](/static/products/5324/532404-74-3.webp)
4-Chloro-3-[3-(furan-2-yl)prop-2-enoylcarbamothioylamino]benzoic acid
TL;DR: 4-Chloro-3-[3-(furan-2-yl)prop-2-enoylcarbamothioylamino]benzoic acid (CAS 532404-74-3) 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.
4-chloro-3-[3-(furan-2-yl)prop-2-enoylcarbamothioylamino]benzoic acid
Also Known As: 4-chloro-3-[3-(furan-2-yl)prop-2-enoylcarbamothioylamino]benzoic acid, 4-chloro-3-[3-(furan-2-yl)prop-2-enoylcarbamothioylamino]ben, 4-chloro-3-[3-(2-furyl)prop-2-enoylthiocarbamoylamino]benzoic Acid, 4-Chloro-3-({[3-(furan-2-yl)prop-2-enoyl]carbamothioyl}amino)benzoic acid, 4-Chloro-3-[[[[3-(2-furanyl)-1-oxo-2-propenyl ]amino]thioxomethyl ]amino]-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 | 532404-74-3 |
|---|---|
| SMILES | C1=COC(=C1)C=CC(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)Cl |
Product Overview
4-Chloro-3-[3-(furan-2-yl)prop-2-enoylcarbamothioylamino]benzoic acid (CAS 532404-74-3), with molecular formula C15H11ClN2O4S and molecular weight 350.01 g/mol. IUPAC: 4-chloro-3-[3-(furan-2-yl)prop-2-enoylcarbamothioylamino]benzoic acid.
Chemical Property Profile of 4-Chloro-3-[3-(furan-2-yl)prop-2-enoylcarbamothioylamino]benzoic acid
Property Insights of 4-Chloro-3-[3-(furan-2-yl)prop-2-enoylcarbamothioylamino]benzoic acid
The XLogP value of 3.1576 indicates that 4-Chloro-3-[3-(furan-2-yl)prop-2-enoylcarbamothioylamino]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 4-Chloro-3-[3-(furan-2-yl)prop-2-enoylcarbamothioylamino]benzoic acid. Following Lipinski's Rule of Five, 4-Chloro-3-[3-(furan-2-yl)prop-2-enoylcarbamothioylamino]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 4-Chloro-3-[3-(furan-2-yl)prop-2-enoylcarbamothioylamino]benzoic acid?
The CAS number of 4-Chloro-3-[3-(furan-2-yl)prop-2-enoylcarbamothioylamino]benzoic acid is 532404-74-3.
What is the molecular formula of 4-Chloro-3-[3-(furan-2-yl)prop-2-enoylcarbamothioylamino]benzoic acid?
The molecular formula of 4-Chloro-3-[3-(furan-2-yl)prop-2-enoylcarbamothioylamino]benzoic acid is C15H11ClN2O4S.
What is the molecular weight of 4-Chloro-3-[3-(furan-2-yl)prop-2-enoylcarbamothioylamino]benzoic acid?
The molecular weight of 4-Chloro-3-[3-(furan-2-yl)prop-2-enoylcarbamothioylamino]benzoic acid is 350.01 g/mol.
Where can I buy 4-Chloro-3-[3-(furan-2-yl)prop-2-enoylcarbamothioylamino]benzoic acid?
You can request a quote for 4-Chloro-3-[3-(furan-2-yl)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 4-Chloro-3-[3-(furan-2-yl)prop-2-enoylcarbamothioylamino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-3-[3-(furan-2-yl)prop-2-enoylcarbamothioylamino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.