![ethyl 4-({[(2E)-3-(furan-2-yl)prop-2-enoyl]carbamothioyl}amino)benzoate structure](/static/products/4288/428856-59-1.webp)
ethyl 4-({[(2E)-3-(furan-2-yl)prop-2-enoyl]carbamothioyl}amino)benzoate
TL;DR: ethyl 4-({[(2E)-3-(furan-2-yl)prop-2-enoyl]carbamothioyl}amino)benzoate (CAS 428856-59-1) is a chemical compound with molecular formula C17H16N2O4S and molecular weight 344.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]benzoate
Also Known As: AB00111325-01, (E)-ethyl 4-(3-(3-(furan-2-yl)acryloyl)thioureido)benzoate, ethyl 4-({[(2E)-3-(furan-2-yl)prop-2-enoyl]carbamothioyl}amino)benzoate, ethyl 4-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]benzoate
| Molecular Formula | C17H16N2O4S |
|---|---|
| Molecular Weight | 344.08 g/mol |
| LogP | 2.9827 |
| Topological Polar Surface Area | 80.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 344.08307 |
| Heavy Atoms | 24 |
| Complexity | 736.4609 |
Chemical Identifiers
| CAS Number | 428856-59-1 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC=CO2 |
Product Overview
ethyl 4-({[(2E)-3-(furan-2-yl)prop-2-enoyl]carbamothioyl}amino)benzoate (CAS 428856-59-1), with molecular formula C17H16N2O4S and molecular weight 344.08 g/mol. IUPAC: ethyl 4-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]benzoate.
Chemical Property Profile of ethyl 4-({[(2E)-3-(furan-2-yl)prop-2-enoyl]carbamothioyl}amino)benzoate
Property Insights of ethyl 4-({[(2E)-3-(furan-2-yl)prop-2-enoyl]carbamothioyl}amino)benzoate
The XLogP value of 2.9827 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-({[(2E)-3-(furan-2-yl)prop-2-enoyl]carbamothioyl}amino)benzoate. The TPSA of 80.57 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-({[(2E)-3-(furan-2-yl)prop-2-enoyl]carbamothioyl}amino)benzoate. Following Lipinski's Rule of Five, ethyl 4-({[(2E)-3-(furan-2-yl)prop-2-enoyl]carbamothioyl}amino)benzoate has 2 hydrogen bond donor(s) and 5 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 ethyl 4-({[(2E)-3-(furan-2-yl)prop-2-enoyl]carbamothioyl}amino)benzoate?
The CAS number of ethyl 4-({[(2E)-3-(furan-2-yl)prop-2-enoyl]carbamothioyl}amino)benzoate is 428856-59-1.
What is the molecular formula of ethyl 4-({[(2E)-3-(furan-2-yl)prop-2-enoyl]carbamothioyl}amino)benzoate?
The molecular formula of ethyl 4-({[(2E)-3-(furan-2-yl)prop-2-enoyl]carbamothioyl}amino)benzoate is C17H16N2O4S.
What is the molecular weight of ethyl 4-({[(2E)-3-(furan-2-yl)prop-2-enoyl]carbamothioyl}amino)benzoate?
The molecular weight of ethyl 4-({[(2E)-3-(furan-2-yl)prop-2-enoyl]carbamothioyl}amino)benzoate is 344.08 g/mol.
Where can I buy ethyl 4-({[(2E)-3-(furan-2-yl)prop-2-enoyl]carbamothioyl}amino)benzoate?
You can request a quote for ethyl 4-({[(2E)-3-(furan-2-yl)prop-2-enoyl]carbamothioyl}amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-({[(2E)-3-(furan-2-yl)prop-2-enoyl]carbamothioyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-({[(2E)-3-(furan-2-yl)prop-2-enoyl]carbamothioyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.