![isopropyl 2-({[2-(2,4-dimethylphenyl)-4-quinolinyl]carbonyl}amino)-4-(4-fluorophenyl)-5-methyl-3-thiophenecarboxylate structure](/static/products/5158/515872-86-3.webp)
isopropyl 2-({[2-(2,4-dimethylphenyl)-4-quinolinyl]carbonyl}amino)-4-(4-fluorophenyl)-5-methyl-3-thiophenecarboxylate
TL;DR: isopropyl 2-({[2-(2,4-dimethylphenyl)-4-quinolinyl]carbonyl}amino)-4-(4-fluorophenyl)-5-methyl-3-thiophenecarboxylate (CAS 515872-86-3) is a chemical compound with molecular formula C33H29FN2O3S and molecular weight 552.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate
Also Known As: isopropyl 2-({[2-(2,4-dimethylphenyl)-4-quinolinyl]carbonyl}amino)-4-(4-fluorophenyl)-5-methyl-3-thiophenecarboxylate, propan-2-yl 2-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate, isopropyl 2-(2-(2,4-dimethylphenyl)quinoline-4-carboxamido)-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate, methylethyl 2-{[2-(2,4-dimethylphenyl)(4-quinolyl)]carbonylamino}-4-(4-fluorop henyl)-5-methylthiophene-3-carboxylate, propan-2-yl 2-({[2-(2,4-dimethylphenyl)quinolin-4-yl]carbonyl}amino)-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate
| Molecular Formula | C33H29FN2O3S |
|---|---|
| Molecular Weight | 552.19 g/mol |
| LogP | 8.51216 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 552.1883 |
| Heavy Atoms | 40 |
| Complexity | 1756.408 |
Chemical Identifiers
| CAS Number | 515872-86-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C(=C(S4)C)C5=CC=C(C=C5)F)C(=O)OC(C)C)C |
Product Overview
isopropyl 2-({[2-(2,4-dimethylphenyl)-4-quinolinyl]carbonyl}amino)-4-(4-fluorophenyl)-5-methyl-3-thiophenecarboxylate (CAS 515872-86-3), with molecular formula C33H29FN2O3S and molecular weight 552.19 g/mol. IUPAC: propan-2-yl 2-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate.
Chemical Property Profile of isopropyl 2-({[2-(2,4-dimethylphenyl)-4-quinolinyl]carbonyl}amino)-4-(4-fluorophenyl)-5-methyl-3-thiophenecarboxylate
Property Insights of isopropyl 2-({[2-(2,4-dimethylphenyl)-4-quinolinyl]carbonyl}amino)-4-(4-fluorophenyl)-5-methyl-3-thiophenecarboxylate
The XLogP value of 8.51216 indicates that isopropyl 2-({[2-(2,4-dimethylphenyl)-4-quinolinyl]carbonyl}amino)-4-(4-fluorophenyl)-5-methyl-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 2-({[2-(2,4-dimethylphenyl)-4-quinolinyl]carbonyl}amino)-4-(4-fluorophenyl)-5-methyl-3-thiophenecarboxylate. Following Lipinski's Rule of Five, isopropyl 2-({[2-(2,4-dimethylphenyl)-4-quinolinyl]carbonyl}amino)-4-(4-fluorophenyl)-5-methyl-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 2-({[2-(2,4-dimethylphenyl)-4-quinolinyl]carbonyl}amino)-4-(4-fluorophenyl)-5-methyl-3-thiophenecarboxylate?
The CAS number of isopropyl 2-({[2-(2,4-dimethylphenyl)-4-quinolinyl]carbonyl}amino)-4-(4-fluorophenyl)-5-methyl-3-thiophenecarboxylate is 515872-86-3.
What is the molecular formula of isopropyl 2-({[2-(2,4-dimethylphenyl)-4-quinolinyl]carbonyl}amino)-4-(4-fluorophenyl)-5-methyl-3-thiophenecarboxylate?
The molecular formula of isopropyl 2-({[2-(2,4-dimethylphenyl)-4-quinolinyl]carbonyl}amino)-4-(4-fluorophenyl)-5-methyl-3-thiophenecarboxylate is C33H29FN2O3S.
What is the molecular weight of isopropyl 2-({[2-(2,4-dimethylphenyl)-4-quinolinyl]carbonyl}amino)-4-(4-fluorophenyl)-5-methyl-3-thiophenecarboxylate?
The molecular weight of isopropyl 2-({[2-(2,4-dimethylphenyl)-4-quinolinyl]carbonyl}amino)-4-(4-fluorophenyl)-5-methyl-3-thiophenecarboxylate is 552.19 g/mol.
Where can I buy isopropyl 2-({[2-(2,4-dimethylphenyl)-4-quinolinyl]carbonyl}amino)-4-(4-fluorophenyl)-5-methyl-3-thiophenecarboxylate?
You can request a quote for isopropyl 2-({[2-(2,4-dimethylphenyl)-4-quinolinyl]carbonyl}amino)-4-(4-fluorophenyl)-5-methyl-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 2-({[2-(2,4-dimethylphenyl)-4-quinolinyl]carbonyl}amino)-4-(4-fluorophenyl)-5-methyl-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for isopropyl 2-({[2-(2,4-dimethylphenyl)-4-quinolinyl]carbonyl}amino)-4-(4-fluorophenyl)-5-methyl-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.