2-Ethyl 4-propyl 5-(isonicotinoylamino)-3-methyl-2,4-thiophenedicarboxylate
TL;DR: 2-Ethyl 4-propyl 5-(isonicotinoylamino)-3-methyl-2,4-thiophenedicarboxylate (CAS 514854-52-5) is a chemical compound with molecular formula C18H20N2O5S and molecular weight 376.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-O-ethyl 4-O-propyl 3-methyl-5-(pyridine-4-carbonylamino)thiophene-2,4-dicarboxylate
Also Known As: 2-ethyl 4-propyl 5-(isonicotinoylamino)-3-methyl-2,4-thiophenedicarboxylate, 2-O-ethyl 4-O-propyl 3-methyl-5-(pyridine-4-carbonylamino)thiophene-2,4-dicarboxylate, 2-ethyl 4-propyl 3-methyl-5-[(pyridin-4-ylcarbonyl)amino]thiophene-2,4-dicarboxylate, ethyl 3-methyl-4-(propoxycarbonyl)-5-(4-pyridylcarbonylamino)thiophene-2-carbo xylate
| Molecular Formula | C18H20N2O5S |
|---|---|
| Molecular Weight | 376.11 g/mol |
| LogP | 3.44732 |
| Topological Polar Surface Area | 94.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 376.10928 |
| Heavy Atoms | 26 |
| Complexity | 801.41284 |
Chemical Identifiers
| CAS Number | 514854-52-5 |
|---|---|
| SMILES | CCCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2=CC=NC=C2 |
Product Overview
2-Ethyl 4-propyl 5-(isonicotinoylamino)-3-methyl-2,4-thiophenedicarboxylate (CAS 514854-52-5), with molecular formula C18H20N2O5S and molecular weight 376.11 g/mol. IUPAC: 2-O-ethyl 4-O-propyl 3-methyl-5-(pyridine-4-carbonylamino)thiophene-2,4-dicarboxylate.
Chemical Property Profile of 2-Ethyl 4-propyl 5-(isonicotinoylamino)-3-methyl-2,4-thiophenedicarboxylate
Property Insights of 2-Ethyl 4-propyl 5-(isonicotinoylamino)-3-methyl-2,4-thiophenedicarboxylate
The XLogP value of 3.44732 indicates that 2-Ethyl 4-propyl 5-(isonicotinoylamino)-3-methyl-2,4-thiophenedicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Ethyl 4-propyl 5-(isonicotinoylamino)-3-methyl-2,4-thiophenedicarboxylate. Following Lipinski's Rule of Five, 2-Ethyl 4-propyl 5-(isonicotinoylamino)-3-methyl-2,4-thiophenedicarboxylate 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 2-Ethyl 4-propyl 5-(isonicotinoylamino)-3-methyl-2,4-thiophenedicarboxylate?
The CAS number of 2-Ethyl 4-propyl 5-(isonicotinoylamino)-3-methyl-2,4-thiophenedicarboxylate is 514854-52-5.
What is the molecular formula of 2-Ethyl 4-propyl 5-(isonicotinoylamino)-3-methyl-2,4-thiophenedicarboxylate?
The molecular formula of 2-Ethyl 4-propyl 5-(isonicotinoylamino)-3-methyl-2,4-thiophenedicarboxylate is C18H20N2O5S.
What is the molecular weight of 2-Ethyl 4-propyl 5-(isonicotinoylamino)-3-methyl-2,4-thiophenedicarboxylate?
The molecular weight of 2-Ethyl 4-propyl 5-(isonicotinoylamino)-3-methyl-2,4-thiophenedicarboxylate is 376.11 g/mol.
Where can I buy 2-Ethyl 4-propyl 5-(isonicotinoylamino)-3-methyl-2,4-thiophenedicarboxylate?
You can request a quote for 2-Ethyl 4-propyl 5-(isonicotinoylamino)-3-methyl-2,4-thiophenedicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethyl 4-propyl 5-(isonicotinoylamino)-3-methyl-2,4-thiophenedicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethyl 4-propyl 5-(isonicotinoylamino)-3-methyl-2,4-thiophenedicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.