![Ethyl 4-[3-(3,4-dimethoxyphenyl)prop-2-enoylcarbamothioylamino]benzoate structure](/static/products/6978/6978-73-0.webp)
Ethyl 4-[3-(3,4-dimethoxyphenyl)prop-2-enoylcarbamothioylamino]benzoate
TL;DR: Ethyl 4-[3-(3,4-dimethoxyphenyl)prop-2-enoylcarbamothioylamino]benzoate (CAS 6978-73-0) is a chemical compound with molecular formula C21H22N2O5S and molecular weight 414.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[3-(3,4-dimethoxyphenyl)prop-2-enoylcarbamothioylamino]benzoate
Also Known As: ethyl 4-[3-(3,4-dimethoxyphenyl)prop-2-enoylcarbamothioylamino]benzoate, Ethyl 4-[3-(3,4-dimethoxyphenyl)prop-2-enoylthiocarbamoylamino]benzoate, Ethyl 4-({[3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioyl}amino)benzoate
| Molecular Formula | C21H22N2O5S |
|---|---|
| Molecular Weight | 414.12 g/mol |
| LogP | 3.4069 |
| Topological Polar Surface Area | 85.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 414.12494 |
| Heavy Atoms | 29 |
| Complexity | 909.78754 |
Chemical Identifiers
| CAS Number | 6978-73-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C=CC2=CC(=C(C=C2)OC)OC |
Product Overview
Ethyl 4-[3-(3,4-dimethoxyphenyl)prop-2-enoylcarbamothioylamino]benzoate (CAS 6978-73-0), with molecular formula C21H22N2O5S and molecular weight 414.12 g/mol. IUPAC: ethyl 4-[3-(3,4-dimethoxyphenyl)prop-2-enoylcarbamothioylamino]benzoate.
Chemical Property Profile of Ethyl 4-[3-(3,4-dimethoxyphenyl)prop-2-enoylcarbamothioylamino]benzoate
Property Insights of Ethyl 4-[3-(3,4-dimethoxyphenyl)prop-2-enoylcarbamothioylamino]benzoate
The XLogP value of 3.4069 indicates that Ethyl 4-[3-(3,4-dimethoxyphenyl)prop-2-enoylcarbamothioylamino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.89 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[3-(3,4-dimethoxyphenyl)prop-2-enoylcarbamothioylamino]benzoate. Following Lipinski's Rule of Five, Ethyl 4-[3-(3,4-dimethoxyphenyl)prop-2-enoylcarbamothioylamino]benzoate has 2 hydrogen bond donor(s) and 6 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-[3-(3,4-dimethoxyphenyl)prop-2-enoylcarbamothioylamino]benzoate?
The CAS number of Ethyl 4-[3-(3,4-dimethoxyphenyl)prop-2-enoylcarbamothioylamino]benzoate is 6978-73-0.
What is the molecular formula of Ethyl 4-[3-(3,4-dimethoxyphenyl)prop-2-enoylcarbamothioylamino]benzoate?
The molecular formula of Ethyl 4-[3-(3,4-dimethoxyphenyl)prop-2-enoylcarbamothioylamino]benzoate is C21H22N2O5S.
What is the molecular weight of Ethyl 4-[3-(3,4-dimethoxyphenyl)prop-2-enoylcarbamothioylamino]benzoate?
The molecular weight of Ethyl 4-[3-(3,4-dimethoxyphenyl)prop-2-enoylcarbamothioylamino]benzoate is 414.12 g/mol.
Where can I buy Ethyl 4-[3-(3,4-dimethoxyphenyl)prop-2-enoylcarbamothioylamino]benzoate?
You can request a quote for Ethyl 4-[3-(3,4-dimethoxyphenyl)prop-2-enoylcarbamothioylamino]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-[3-(3,4-dimethoxyphenyl)prop-2-enoylcarbamothioylamino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[3-(3,4-dimethoxyphenyl)prop-2-enoylcarbamothioylamino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.