Ethyl 4-cyano-5-(2,4-dimethoxybenzamido)-3-methylthiophene-2-carboxylate
TL;DR: Ethyl 4-cyano-5-(2,4-dimethoxybenzamido)-3-methylthiophene-2-carboxylate (CAS 545344-28-3) is a chemical compound with molecular formula C18H18N2O5S and molecular weight 374.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-cyano-5-[(2,4-dimethoxybenzoyl)amino]-3-methylthiophene-2-carboxylate
Also Known As: F2590-0720, ethyl 4-cyano-5-(2,4-dimethoxybenzamido)-3-methylthiophene-2-carboxylate, ethyl 4-cyano-5-(2,4-dianisoylamino)-3-methyl-2-thenoate, ethyl 4-cyano-5-[(2,4-dimethoxybenzoyl)amino]-3-methylthiophene-2-carboxylate
| Molecular Formula | C18H18N2O5S |
|---|---|
| Molecular Weight | 374.09 g/mol |
| LogP | 3.3744 |
| Topological Polar Surface Area | 97.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 374.09363 |
| Heavy Atoms | 26 |
| Complexity | 882.43713 |
Chemical Identifiers
| CAS Number | 545344-28-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=C(C=C(C=C2)OC)OC)C#N)C |
Product Overview
Ethyl 4-cyano-5-(2,4-dimethoxybenzamido)-3-methylthiophene-2-carboxylate (CAS 545344-28-3), with molecular formula C18H18N2O5S and molecular weight 374.09 g/mol. IUPAC: ethyl 4-cyano-5-[(2,4-dimethoxybenzoyl)amino]-3-methylthiophene-2-carboxylate.
Chemical Property Profile of Ethyl 4-cyano-5-(2,4-dimethoxybenzamido)-3-methylthiophene-2-carboxylate
Property Insights of Ethyl 4-cyano-5-(2,4-dimethoxybenzamido)-3-methylthiophene-2-carboxylate
The XLogP value of 3.3744 indicates that Ethyl 4-cyano-5-(2,4-dimethoxybenzamido)-3-methylthiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.65 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-cyano-5-(2,4-dimethoxybenzamido)-3-methylthiophene-2-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-cyano-5-(2,4-dimethoxybenzamido)-3-methylthiophene-2-carboxylate has 1 hydrogen bond donor(s) and 7 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-cyano-5-(2,4-dimethoxybenzamido)-3-methylthiophene-2-carboxylate?
The CAS number of Ethyl 4-cyano-5-(2,4-dimethoxybenzamido)-3-methylthiophene-2-carboxylate is 545344-28-3.
What is the molecular formula of Ethyl 4-cyano-5-(2,4-dimethoxybenzamido)-3-methylthiophene-2-carboxylate?
The molecular formula of Ethyl 4-cyano-5-(2,4-dimethoxybenzamido)-3-methylthiophene-2-carboxylate is C18H18N2O5S.
What is the molecular weight of Ethyl 4-cyano-5-(2,4-dimethoxybenzamido)-3-methylthiophene-2-carboxylate?
The molecular weight of Ethyl 4-cyano-5-(2,4-dimethoxybenzamido)-3-methylthiophene-2-carboxylate is 374.09 g/mol.
Where can I buy Ethyl 4-cyano-5-(2,4-dimethoxybenzamido)-3-methylthiophene-2-carboxylate?
You can request a quote for Ethyl 4-cyano-5-(2,4-dimethoxybenzamido)-3-methylthiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-cyano-5-(2,4-dimethoxybenzamido)-3-methylthiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-cyano-5-(2,4-dimethoxybenzamido)-3-methylthiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.