![isopropyl 4-(4-tert-butylphenyl)-5-methyl-2-[(4-toluidinocarbonyl)amino]thiophene-3-carboxylate structure](/static/products/4449/444925-86-4.webp)
isopropyl 4-(4-tert-butylphenyl)-5-methyl-2-[(4-toluidinocarbonyl)amino]thiophene-3-carboxylate
TL;DR: isopropyl 4-(4-tert-butylphenyl)-5-methyl-2-[(4-toluidinocarbonyl)amino]thiophene-3-carboxylate (CAS 444925-86-4) is a chemical compound with molecular formula C27H32N2O3S and molecular weight 464.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 4-(4-tert-butylphenyl)-5-methyl-2-[(4-methylphenyl)carbamoylamino]thiophene-3-carboxylate
Also Known As: isopropyl 4-(4-tert-butylphenyl)-5-methyl-2-[(4-toluidinocarbonyl)amino]thiophene-3-carboxylate, propan-2-yl 4-(4-tert-butylphenyl)-5-methyl-2-[(4-methylphenyl)carbamoylamino]thiophene-3-carboxylate, isopropyl 4-(4-(tert-butyl)phenyl)-5-methyl-2-(3-(p-tolyl)ureido)thiophene-3-carboxylate, methylethyl 4-[4-(tert-butyl)phenyl]-5-methyl-2-{[N-(4-methylphenyl)carbamoyl] amino}thiophene-3-carboxylate, propan-2-yl 4-(4-tert-butylphenyl)-5-methyl-2-{[(4-methylphenyl)carbamoyl]amino}thiophene-3-carboxylate
| Molecular Formula | C27H32N2O3S |
|---|---|
| Molecular Weight | 464.21 g/mol |
| LogP | 7.53864 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 464.21338 |
| Heavy Atoms | 33 |
| Complexity | 1137.8499 |
Chemical Identifiers
| CAS Number | 444925-86-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)NC2=C(C(=C(S2)C)C3=CC=C(C=C3)C(C)(C)C)C(=O)OC(C)C |
Product Overview
isopropyl 4-(4-tert-butylphenyl)-5-methyl-2-[(4-toluidinocarbonyl)amino]thiophene-3-carboxylate (CAS 444925-86-4), with molecular formula C27H32N2O3S and molecular weight 464.21 g/mol. IUPAC: propan-2-yl 4-(4-tert-butylphenyl)-5-methyl-2-[(4-methylphenyl)carbamoylamino]thiophene-3-carboxylate.
Chemical Property Profile of isopropyl 4-(4-tert-butylphenyl)-5-methyl-2-[(4-toluidinocarbonyl)amino]thiophene-3-carboxylate
Property Insights of isopropyl 4-(4-tert-butylphenyl)-5-methyl-2-[(4-toluidinocarbonyl)amino]thiophene-3-carboxylate
The XLogP value of 7.53864 indicates that isopropyl 4-(4-tert-butylphenyl)-5-methyl-2-[(4-toluidinocarbonyl)amino]thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for isopropyl 4-(4-tert-butylphenyl)-5-methyl-2-[(4-toluidinocarbonyl)amino]thiophene-3-carboxylate. Following Lipinski's Rule of Five, isopropyl 4-(4-tert-butylphenyl)-5-methyl-2-[(4-toluidinocarbonyl)amino]thiophene-3-carboxylate has 2 hydrogen bond donor(s) and 4 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-(4-tert-butylphenyl)-5-methyl-2-[(4-toluidinocarbonyl)amino]thiophene-3-carboxylate?
The CAS number of isopropyl 4-(4-tert-butylphenyl)-5-methyl-2-[(4-toluidinocarbonyl)amino]thiophene-3-carboxylate is 444925-86-4.
What is the molecular formula of isopropyl 4-(4-tert-butylphenyl)-5-methyl-2-[(4-toluidinocarbonyl)amino]thiophene-3-carboxylate?
The molecular formula of isopropyl 4-(4-tert-butylphenyl)-5-methyl-2-[(4-toluidinocarbonyl)amino]thiophene-3-carboxylate is C27H32N2O3S.
What is the molecular weight of isopropyl 4-(4-tert-butylphenyl)-5-methyl-2-[(4-toluidinocarbonyl)amino]thiophene-3-carboxylate?
The molecular weight of isopropyl 4-(4-tert-butylphenyl)-5-methyl-2-[(4-toluidinocarbonyl)amino]thiophene-3-carboxylate is 464.21 g/mol.
Where can I buy isopropyl 4-(4-tert-butylphenyl)-5-methyl-2-[(4-toluidinocarbonyl)amino]thiophene-3-carboxylate?
You can request a quote for isopropyl 4-(4-tert-butylphenyl)-5-methyl-2-[(4-toluidinocarbonyl)amino]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 4-(4-tert-butylphenyl)-5-methyl-2-[(4-toluidinocarbonyl)amino]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for isopropyl 4-(4-tert-butylphenyl)-5-methyl-2-[(4-toluidinocarbonyl)amino]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.