Methyl 4-ethyl-2-(isonicotinoylamino)-5-methyl-3-thiophenecarboxylate
TL;DR: Methyl 4-ethyl-2-(isonicotinoylamino)-5-methyl-3-thiophenecarboxylate (CAS 329207-60-5) is a chemical compound with molecular formula C15H16N2O3S and molecular weight 304.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-ethyl-5-methyl-2-(pyridine-4-carbonylamino)thiophene-3-carboxylate
Also Known As: BIM-0022748.P001, methyl 4-ethyl-2-(isonicotinoylamino)-5-methyl-3-thiophenecarboxylate, methyl 4-ethyl-5-methyl-2-(pyridine-4-carbonylamino)thiophene-3-carboxylate, methyl 4-ethyl-2-(isonicotinamido)-5-methylthiophene-3-carboxylate, methyl 4-ethyl-5-methyl-2-(4-pyridylcarbonylamino)thiophene-3-carboxylate
| Molecular Formula | C15H16N2O3S |
|---|---|
| Molecular Weight | 304.09 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 96.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 304.08817 |
| Heavy Atoms | 21 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 329207-60-5 |
|---|---|
| SMILES | CCC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC=NC=C2)C |
| InChIKey | LVWKWSWWDRCTMH-UHFFFAOYSA-N |
Product Overview
Methyl 4-ethyl-2-(isonicotinoylamino)-5-methyl-3-thiophenecarboxylate (CAS 329207-60-5), with molecular formula C15H16N2O3S and molecular weight 304.09 g/mol. IUPAC: methyl 4-ethyl-5-methyl-2-(pyridine-4-carbonylamino)thiophene-3-carboxylate.
Chemical Property Profile of Methyl 4-ethyl-2-(isonicotinoylamino)-5-methyl-3-thiophenecarboxylate
Property Insights of Methyl 4-ethyl-2-(isonicotinoylamino)-5-methyl-3-thiophenecarboxylate
The XLogP value of 3.3 indicates that Methyl 4-ethyl-2-(isonicotinoylamino)-5-methyl-3-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-ethyl-2-(isonicotinoylamino)-5-methyl-3-thiophenecarboxylate. Following Lipinski's Rule of Five, Methyl 4-ethyl-2-(isonicotinoylamino)-5-methyl-3-thiophenecarboxylate has 1 hydrogen bond donor(s) and 5 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 Methyl 4-ethyl-2-(isonicotinoylamino)-5-methyl-3-thiophenecarboxylate?
The CAS number of Methyl 4-ethyl-2-(isonicotinoylamino)-5-methyl-3-thiophenecarboxylate is 329207-60-5.
What is the molecular formula of Methyl 4-ethyl-2-(isonicotinoylamino)-5-methyl-3-thiophenecarboxylate?
The molecular formula of Methyl 4-ethyl-2-(isonicotinoylamino)-5-methyl-3-thiophenecarboxylate is C15H16N2O3S.
What is the molecular weight of Methyl 4-ethyl-2-(isonicotinoylamino)-5-methyl-3-thiophenecarboxylate?
The molecular weight of Methyl 4-ethyl-2-(isonicotinoylamino)-5-methyl-3-thiophenecarboxylate is 304.09 g/mol.
Where can I buy Methyl 4-ethyl-2-(isonicotinoylamino)-5-methyl-3-thiophenecarboxylate?
You can request a quote for Methyl 4-ethyl-2-(isonicotinoylamino)-5-methyl-3-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-ethyl-2-(isonicotinoylamino)-5-methyl-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-ethyl-2-(isonicotinoylamino)-5-methyl-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.