Ethyl 4-(3,4-dimethoxyphenyl)-2-(isonicotinamido)thiophene-3-carboxylate
TL;DR: Ethyl 4-(3,4-dimethoxyphenyl)-2-(isonicotinamido)thiophene-3-carboxylate (CAS 462060-34-0) is a chemical compound with molecular formula C21H20N2O5S and molecular weight 412.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(3,4-dimethoxyphenyl)-2-(pyridine-4-carbonylamino)thiophene-3-carboxylate
Also Known As: BAS 06105693, ethyl 4-(3,4-dimethoxyphenyl)-2-(isonicotinamido)thiophene-3-carboxylate, 4-(3,4-Dimethoxy-phenyl)-2-[(pyridine-4-carbonyl)-amino]-thiophene-3-carboxylic, ethyl 4-(3,4-dimethoxyphenyl)-2-(4-pyridylcarbonylamino)thiophene-3-carboxylat e, ETHYL 4-(3,4-DIMETHOXYPHENYL)-2-(PYRIDINE-4-AMIDO)THIOPHENE-3-CARBOXYLATE
| Molecular Formula | C21H20N2O5S |
|---|---|
| Molecular Weight | 412.11 g/mol |
| LogP | 4.2563 |
| Topological Polar Surface Area | 86.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 412.10928 |
| Heavy Atoms | 29 |
| Complexity | 1017.16583 |
Chemical Identifiers
| CAS Number | 462060-34-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1C2=CC(=C(C=C2)OC)OC)NC(=O)C3=CC=NC=C3 |
Product Overview
Ethyl 4-(3,4-dimethoxyphenyl)-2-(isonicotinamido)thiophene-3-carboxylate (CAS 462060-34-0), with molecular formula C21H20N2O5S and molecular weight 412.11 g/mol. IUPAC: ethyl 4-(3,4-dimethoxyphenyl)-2-(pyridine-4-carbonylamino)thiophene-3-carboxylate.
Chemical Property Profile of Ethyl 4-(3,4-dimethoxyphenyl)-2-(isonicotinamido)thiophene-3-carboxylate
Property Insights of Ethyl 4-(3,4-dimethoxyphenyl)-2-(isonicotinamido)thiophene-3-carboxylate
The XLogP value of 4.2563 indicates that Ethyl 4-(3,4-dimethoxyphenyl)-2-(isonicotinamido)thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.75 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(3,4-dimethoxyphenyl)-2-(isonicotinamido)thiophene-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-(3,4-dimethoxyphenyl)-2-(isonicotinamido)thiophene-3-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-(3,4-dimethoxyphenyl)-2-(isonicotinamido)thiophene-3-carboxylate?
The CAS number of Ethyl 4-(3,4-dimethoxyphenyl)-2-(isonicotinamido)thiophene-3-carboxylate is 462060-34-0.
What is the molecular formula of Ethyl 4-(3,4-dimethoxyphenyl)-2-(isonicotinamido)thiophene-3-carboxylate?
The molecular formula of Ethyl 4-(3,4-dimethoxyphenyl)-2-(isonicotinamido)thiophene-3-carboxylate is C21H20N2O5S.
What is the molecular weight of Ethyl 4-(3,4-dimethoxyphenyl)-2-(isonicotinamido)thiophene-3-carboxylate?
The molecular weight of Ethyl 4-(3,4-dimethoxyphenyl)-2-(isonicotinamido)thiophene-3-carboxylate is 412.11 g/mol.
Where can I buy Ethyl 4-(3,4-dimethoxyphenyl)-2-(isonicotinamido)thiophene-3-carboxylate?
You can request a quote for Ethyl 4-(3,4-dimethoxyphenyl)-2-(isonicotinamido)thiophene-3-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-(3,4-dimethoxyphenyl)-2-(isonicotinamido)thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(3,4-dimethoxyphenyl)-2-(isonicotinamido)thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.