![ethyl 4-({[(2E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioyl}amino)benzoate structure](/static/products/4296/429654-27-3.webp)
ethyl 4-({[(2E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioyl}amino)benzoate
TL;DR: ethyl 4-({[(2E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioyl}amino)benzoate (CAS 429654-27-3) is a chemical compound with molecular formula C19H17ClN2O3S and molecular weight 388.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]benzoate
Also Known As: ethyl 4-({[(2E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioyl}amino)benzoate, (E)-ethyl 4-(3-(3-(4-chlorophenyl)acryloyl)thioureido)benzoate, ethyl 4-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]benzoate
| Molecular Formula | C19H17ClN2O3S |
|---|---|
| Molecular Weight | 388.06 g/mol |
| LogP | 4.0431 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 388.06485 |
| Heavy Atoms | 26 |
| Complexity | 817.6828 |
Chemical Identifiers
| CAS Number | 429654-27-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC=C(C=C2)Cl |
Product Overview
ethyl 4-({[(2E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioyl}amino)benzoate (CAS 429654-27-3), with molecular formula C19H17ClN2O3S and molecular weight 388.06 g/mol. IUPAC: ethyl 4-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]benzoate.
Chemical Property Profile of ethyl 4-({[(2E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioyl}amino)benzoate
Property Insights of ethyl 4-({[(2E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioyl}amino)benzoate
The XLogP value of 4.0431 indicates that ethyl 4-({[(2E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioyl}amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-({[(2E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioyl}amino)benzoate. Following Lipinski's Rule of Five, ethyl 4-({[(2E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioyl}amino)benzoate has 2 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 ethyl 4-({[(2E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioyl}amino)benzoate?
The CAS number of ethyl 4-({[(2E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioyl}amino)benzoate is 429654-27-3.
What is the molecular formula of ethyl 4-({[(2E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioyl}amino)benzoate?
The molecular formula of ethyl 4-({[(2E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioyl}amino)benzoate is C19H17ClN2O3S.
What is the molecular weight of ethyl 4-({[(2E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioyl}amino)benzoate?
The molecular weight of ethyl 4-({[(2E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioyl}amino)benzoate is 388.06 g/mol.
Where can I buy ethyl 4-({[(2E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioyl}amino)benzoate?
You can request a quote for ethyl 4-({[(2E)-3-(4-chlorophenyl)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-(4-chlorophenyl)prop-2-enoyl]carbamothioyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-({[(2E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.