isopropyl 2-(isonicotinoylamino)-4-methyl-5-(2-toluidinocarbonyl)thiophene-3-carboxylate
TL;DR: isopropyl 2-(isonicotinoylamino)-4-methyl-5-(2-toluidinocarbonyl)thiophene-3-carboxylate (CAS 445013-76-3) is a chemical compound with molecular formula C23H23N3O4S and molecular weight 437.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 4-methyl-5-[(2-methylphenyl)carbamoyl]-2-(pyridine-4-carbonylamino)thiophene-3-carboxylate
Also Known As: isopropyl 2-(isonicotinoylamino)-4-methyl-5-(2-toluidinocarbonyl)thiophene-3-carboxylate, propan-2-yl 4-methyl-5-[(2-methylphenyl)carbamoyl]-2-(pyridine-4-carbonylamino)thiophene-3-carboxylate, isopropyl 2-(isonicotinamido)-4-methyl-5-(o-tolylcarbamoyl)thiophene-3-carboxylate, ISOPROPYL 4-METHYL-2-[(4-PYRIDYLCARBONYL)AMINO]-5-(2-TOLUIDINOCARBONYL)-3-THIOPHENECARBOXYLATE, propan-2-yl 4-methyl-5-[(2-methylphenyl)carbamoyl]-2-[(pyridin-4-ylcarbonyl)amino]thiophene-3-carboxylate
| Molecular Formula | C23H23N3O4S |
|---|---|
| Molecular Weight | 437.14 g/mol |
| LogP | 4.82974 |
| Topological Polar Surface Area | 97.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 437.14093 |
| Heavy Atoms | 31 |
| Complexity | 1123.1052 |
Chemical Identifiers
| CAS Number | 445013-76-3 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)C2=C(C(=C(S2)NC(=O)C3=CC=NC=C3)C(=O)OC(C)C)C |
Product Overview
isopropyl 2-(isonicotinoylamino)-4-methyl-5-(2-toluidinocarbonyl)thiophene-3-carboxylate (CAS 445013-76-3), with molecular formula C23H23N3O4S and molecular weight 437.14 g/mol. IUPAC: propan-2-yl 4-methyl-5-[(2-methylphenyl)carbamoyl]-2-(pyridine-4-carbonylamino)thiophene-3-carboxylate.
Chemical Property Profile of isopropyl 2-(isonicotinoylamino)-4-methyl-5-(2-toluidinocarbonyl)thiophene-3-carboxylate
Property Insights of isopropyl 2-(isonicotinoylamino)-4-methyl-5-(2-toluidinocarbonyl)thiophene-3-carboxylate
The XLogP value of 4.82974 indicates that isopropyl 2-(isonicotinoylamino)-4-methyl-5-(2-toluidinocarbonyl)thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.39 Ų falls within the moderate polarity range, balancing permeability and solubility for isopropyl 2-(isonicotinoylamino)-4-methyl-5-(2-toluidinocarbonyl)thiophene-3-carboxylate. Following Lipinski's Rule of Five, isopropyl 2-(isonicotinoylamino)-4-methyl-5-(2-toluidinocarbonyl)thiophene-3-carboxylate has 2 hydrogen bond donor(s) and 6 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 isopropyl 2-(isonicotinoylamino)-4-methyl-5-(2-toluidinocarbonyl)thiophene-3-carboxylate?
The CAS number of isopropyl 2-(isonicotinoylamino)-4-methyl-5-(2-toluidinocarbonyl)thiophene-3-carboxylate is 445013-76-3.
What is the molecular formula of isopropyl 2-(isonicotinoylamino)-4-methyl-5-(2-toluidinocarbonyl)thiophene-3-carboxylate?
The molecular formula of isopropyl 2-(isonicotinoylamino)-4-methyl-5-(2-toluidinocarbonyl)thiophene-3-carboxylate is C23H23N3O4S.
What is the molecular weight of isopropyl 2-(isonicotinoylamino)-4-methyl-5-(2-toluidinocarbonyl)thiophene-3-carboxylate?
The molecular weight of isopropyl 2-(isonicotinoylamino)-4-methyl-5-(2-toluidinocarbonyl)thiophene-3-carboxylate is 437.14 g/mol.
Where can I buy isopropyl 2-(isonicotinoylamino)-4-methyl-5-(2-toluidinocarbonyl)thiophene-3-carboxylate?
You can request a quote for isopropyl 2-(isonicotinoylamino)-4-methyl-5-(2-toluidinocarbonyl)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 isopropyl 2-(isonicotinoylamino)-4-methyl-5-(2-toluidinocarbonyl)thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for isopropyl 2-(isonicotinoylamino)-4-methyl-5-(2-toluidinocarbonyl)thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.