isopropyl 4-(3,4-dimethylphenyl)-2-(isonicotinoylamino)-5-methylthiophene-3-carboxylate
TL;DR: isopropyl 4-(3,4-dimethylphenyl)-2-(isonicotinoylamino)-5-methylthiophene-3-carboxylate (CAS 495395-49-8) is a chemical compound with molecular formula C23H24N2O3S and molecular weight 408.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 4-(3,4-dimethylphenyl)-5-methyl-2-(pyridine-4-carbonylamino)thiophene-3-carboxylate
Also Known As: isopropyl 4-(3,4-dimethylphenyl)-2-(isonicotinoylamino)-5-methylthiophene-3-carboxylate, propan-2-yl 4-(3,4-dimethylphenyl)-5-methyl-2-(pyridine-4-carbonylamino)thiophene-3-carboxylate, methylethyl 4-(3,4-dimethylphenyl)-5-methyl-2-(4-pyridylcarbonylamino)thiophen e-3-carboxylate, propan-2-yl 4-(3,4-dimethylphenyl)-5-methyl-2-[(pyridin-4-ylcarbonyl)amino]thiophene-3-carboxylate
| Molecular Formula | C23H24N2O3S |
|---|---|
| Molecular Weight | 408.15 g/mol |
| LogP | 5.55286 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 408.15076 |
| Heavy Atoms | 29 |
| Complexity | 1055.485 |
Chemical Identifiers
| CAS Number | 495395-49-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=C(SC(=C2C(=O)OC(C)C)NC(=O)C3=CC=NC=C3)C)C |
Product Overview
isopropyl 4-(3,4-dimethylphenyl)-2-(isonicotinoylamino)-5-methylthiophene-3-carboxylate (CAS 495395-49-8), with molecular formula C23H24N2O3S and molecular weight 408.15 g/mol. IUPAC: propan-2-yl 4-(3,4-dimethylphenyl)-5-methyl-2-(pyridine-4-carbonylamino)thiophene-3-carboxylate.
Chemical Property Profile of isopropyl 4-(3,4-dimethylphenyl)-2-(isonicotinoylamino)-5-methylthiophene-3-carboxylate
Property Insights of isopropyl 4-(3,4-dimethylphenyl)-2-(isonicotinoylamino)-5-methylthiophene-3-carboxylate
The XLogP value of 5.55286 indicates that isopropyl 4-(3,4-dimethylphenyl)-2-(isonicotinoylamino)-5-methylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for isopropyl 4-(3,4-dimethylphenyl)-2-(isonicotinoylamino)-5-methylthiophene-3-carboxylate. Following Lipinski's Rule of Five, isopropyl 4-(3,4-dimethylphenyl)-2-(isonicotinoylamino)-5-methylthiophene-3-carboxylate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of isopropyl 4-(3,4-dimethylphenyl)-2-(isonicotinoylamino)-5-methylthiophene-3-carboxylate?
The CAS number of isopropyl 4-(3,4-dimethylphenyl)-2-(isonicotinoylamino)-5-methylthiophene-3-carboxylate is 495395-49-8.
What is the molecular formula of isopropyl 4-(3,4-dimethylphenyl)-2-(isonicotinoylamino)-5-methylthiophene-3-carboxylate?
The molecular formula of isopropyl 4-(3,4-dimethylphenyl)-2-(isonicotinoylamino)-5-methylthiophene-3-carboxylate is C23H24N2O3S.
What is the molecular weight of isopropyl 4-(3,4-dimethylphenyl)-2-(isonicotinoylamino)-5-methylthiophene-3-carboxylate?
The molecular weight of isopropyl 4-(3,4-dimethylphenyl)-2-(isonicotinoylamino)-5-methylthiophene-3-carboxylate is 408.15 g/mol.
Where can I buy isopropyl 4-(3,4-dimethylphenyl)-2-(isonicotinoylamino)-5-methylthiophene-3-carboxylate?
You can request a quote for isopropyl 4-(3,4-dimethylphenyl)-2-(isonicotinoylamino)-5-methylthiophene-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 4-(3,4-dimethylphenyl)-2-(isonicotinoylamino)-5-methylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for isopropyl 4-(3,4-dimethylphenyl)-2-(isonicotinoylamino)-5-methylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.