Methyl 3-(isonicotinamido)thiophene-2-carboxylate
TL;DR: Methyl 3-(isonicotinamido)thiophene-2-carboxylate (CAS 540757-87-7) is a chemical compound with molecular formula C12H10N2O3S and molecular weight 262.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(pyridine-4-carbonylamino)thiophene-2-carboxylate
Also Known As: methyl 3-(pyridine-4-amido)thiophene-2-carboxylate, Methyl 3-(isonicotinamido)thiophene-2-carboxylate, methyl 3-(pyridine-4-carbonylamino)thiophene-2-carboxylate, methyl 3-(isonicotinoylamino)-2-thiophenecarboxylate, Methyl3-(isonicotinamido)thiophene-2-carboxylate
| Molecular Formula | C12H10N2O3S |
|---|---|
| Molecular Weight | 262.04 g/mol |
| LogP | 2.182 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 262.0412 |
| Heavy Atoms | 18 |
| Complexity | 565.7113 |
Chemical Identifiers
| CAS Number | 540757-87-7 |
|---|---|
| SMILES | COC(=O)C1=C(C=CS1)NC(=O)C2=CC=NC=C2 |
Product Overview
Methyl 3-(isonicotinamido)thiophene-2-carboxylate (CAS 540757-87-7), with molecular formula C12H10N2O3S and molecular weight 262.04 g/mol. IUPAC: methyl 3-(pyridine-4-carbonylamino)thiophene-2-carboxylate.
Chemical Property Profile of Methyl 3-(isonicotinamido)thiophene-2-carboxylate
Property Insights of Methyl 3-(isonicotinamido)thiophene-2-carboxylate
The XLogP value of 2.182 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(isonicotinamido)thiophene-2-carboxylate. The TPSA of 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(isonicotinamido)thiophene-2-carboxylate. Following Lipinski's Rule of Five, Methyl 3-(isonicotinamido)thiophene-2-carboxylate 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 3-(isonicotinamido)thiophene-2-carboxylate?
The CAS number of Methyl 3-(isonicotinamido)thiophene-2-carboxylate is 540757-87-7.
What is the molecular formula of Methyl 3-(isonicotinamido)thiophene-2-carboxylate?
The molecular formula of Methyl 3-(isonicotinamido)thiophene-2-carboxylate is C12H10N2O3S.
What is the molecular weight of Methyl 3-(isonicotinamido)thiophene-2-carboxylate?
The molecular weight of Methyl 3-(isonicotinamido)thiophene-2-carboxylate is 262.04 g/mol.
Where can I buy Methyl 3-(isonicotinamido)thiophene-2-carboxylate?
You can request a quote for Methyl 3-(isonicotinamido)thiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(isonicotinamido)thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(isonicotinamido)thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.