Isopropyl 4-(2,4-dimethylphenyl)-2-(isonicotinoylamino)-3-thiophenecarboxylate
TL;DR: Isopropyl 4-(2,4-dimethylphenyl)-2-(isonicotinoylamino)-3-thiophenecarboxylate (CAS 445260-13-9) is a chemical compound with molecular formula C22H22N2O3S and molecular weight 394.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 4-(2,4-dimethylphenyl)-2-(pyridine-4-carbonylamino)thiophene-3-carboxylate
Also Known As: isopropyl 4-(2,4-dimethylphenyl)-2-(isonicotinoylamino)-3-thiophenecarboxylate, propan-2-yl 4-(2,4-dimethylphenyl)-2-(pyridine-4-carbonylamino)thiophene-3-carboxylate, methylethyl 4-(2,4-dimethylphenyl)-2-(4-pyridylcarbonylamino)thiophene-3-carbo xylate, PROPAN-2-YL 4-(2,4-DIMETHYLPHENYL)-2-(PYRIDINE-4-AMIDO)THIOPHENE-3-CARBOXYLATE, propan-2-yl 4-(2,4-dimethylphenyl)-2-[(pyridin-4-ylcarbonyl)amino]thiophene-3-carboxylate
| Molecular Formula | C22H22N2O3S |
|---|---|
| Molecular Weight | 394.14 g/mol |
| LogP | 5.24444 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 394.1351 |
| Heavy Atoms | 28 |
| Complexity | 1009.8763 |
Chemical Identifiers
| CAS Number | 445260-13-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C2=CSC(=C2C(=O)OC(C)C)NC(=O)C3=CC=NC=C3)C |
Product Overview
Isopropyl 4-(2,4-dimethylphenyl)-2-(isonicotinoylamino)-3-thiophenecarboxylate (CAS 445260-13-9), with molecular formula C22H22N2O3S and molecular weight 394.14 g/mol. IUPAC: propan-2-yl 4-(2,4-dimethylphenyl)-2-(pyridine-4-carbonylamino)thiophene-3-carboxylate.
Chemical Property Profile of Isopropyl 4-(2,4-dimethylphenyl)-2-(isonicotinoylamino)-3-thiophenecarboxylate
Property Insights of Isopropyl 4-(2,4-dimethylphenyl)-2-(isonicotinoylamino)-3-thiophenecarboxylate
The XLogP value of 5.24444 indicates that Isopropyl 4-(2,4-dimethylphenyl)-2-(isonicotinoylamino)-3-thiophenecarboxylate 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-(2,4-dimethylphenyl)-2-(isonicotinoylamino)-3-thiophenecarboxylate. Following Lipinski's Rule of Five, Isopropyl 4-(2,4-dimethylphenyl)-2-(isonicotinoylamino)-3-thiophenecarboxylate 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-(2,4-dimethylphenyl)-2-(isonicotinoylamino)-3-thiophenecarboxylate?
The CAS number of Isopropyl 4-(2,4-dimethylphenyl)-2-(isonicotinoylamino)-3-thiophenecarboxylate is 445260-13-9.
What is the molecular formula of Isopropyl 4-(2,4-dimethylphenyl)-2-(isonicotinoylamino)-3-thiophenecarboxylate?
The molecular formula of Isopropyl 4-(2,4-dimethylphenyl)-2-(isonicotinoylamino)-3-thiophenecarboxylate is C22H22N2O3S.
What is the molecular weight of Isopropyl 4-(2,4-dimethylphenyl)-2-(isonicotinoylamino)-3-thiophenecarboxylate?
The molecular weight of Isopropyl 4-(2,4-dimethylphenyl)-2-(isonicotinoylamino)-3-thiophenecarboxylate is 394.14 g/mol.
Where can I buy Isopropyl 4-(2,4-dimethylphenyl)-2-(isonicotinoylamino)-3-thiophenecarboxylate?
You can request a quote for Isopropyl 4-(2,4-dimethylphenyl)-2-(isonicotinoylamino)-3-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl 4-(2,4-dimethylphenyl)-2-(isonicotinoylamino)-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl 4-(2,4-dimethylphenyl)-2-(isonicotinoylamino)-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.