![isopropyl 2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-5-[(2,4-dimethylanilino)carbonyl]-4-methyl-3-thiophenecarboxylate structure](/static/products/4449/444924-54-3.webp)
isopropyl 2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-5-[(2,4-dimethylanilino)carbonyl]-4-methyl-3-thiophenecarboxylate
TL;DR: isopropyl 2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-5-[(2,4-dimethylanilino)carbonyl]-4-methyl-3-thiophenecarboxylate (CAS 444924-54-3) is a chemical compound with molecular formula C26H26N2O6S and molecular weight 494.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-(1,3-benzodioxole-5-carbonylamino)-5-[(2,4-dimethylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
Also Known As: isopropyl 2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-5-[(2,4-dimethylanilino)carbonyl]-4-methyl-3-thiophenecarboxylate, propan-2-yl 2-(1,3-benzodioxole-5-carbonylamino)-5-[(2,4-dimethylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate, isopropyl 2-(benzo[d][1,3]dioxole-5-carboxamido)-5-((2,4-dimethylphenyl)carbamoyl)-4-methylthiophene-3-carboxylate, methylethyl 2-(2H-benzo[3,4-d]1,3-dioxolan-5-ylcarbonylamino)-5-[N-(2,4-dimeth ylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate, propan-2-yl 2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-5-[(2,4-dimethylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
| Molecular Formula | C26H26N2O6S |
|---|---|
| Molecular Weight | 494.15 g/mol |
| LogP | 5.47186 |
| Topological Polar Surface Area | 102.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 494.15115 |
| Heavy Atoms | 35 |
| Complexity | 1327.6165 |
Chemical Identifiers
| CAS Number | 444924-54-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NC(=O)C2=C(C(=C(S2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)OC(C)C)C)C |
Product Overview
isopropyl 2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-5-[(2,4-dimethylanilino)carbonyl]-4-methyl-3-thiophenecarboxylate (CAS 444924-54-3), with molecular formula C26H26N2O6S and molecular weight 494.15 g/mol. IUPAC: propan-2-yl 2-(1,3-benzodioxole-5-carbonylamino)-5-[(2,4-dimethylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate.
Chemical Property Profile of isopropyl 2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-5-[(2,4-dimethylanilino)carbonyl]-4-methyl-3-thiophenecarboxylate
Property Insights of isopropyl 2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-5-[(2,4-dimethylanilino)carbonyl]-4-methyl-3-thiophenecarboxylate
The XLogP value of 5.47186 indicates that isopropyl 2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-5-[(2,4-dimethylanilino)carbonyl]-4-methyl-3-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.96 Ų falls within the moderate polarity range, balancing permeability and solubility for isopropyl 2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-5-[(2,4-dimethylanilino)carbonyl]-4-methyl-3-thiophenecarboxylate. Following Lipinski's Rule of Five, isopropyl 2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-5-[(2,4-dimethylanilino)carbonyl]-4-methyl-3-thiophenecarboxylate has 2 hydrogen bond donor(s) and 7 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-[(1,3-benzodioxol-5-ylcarbonyl)amino]-5-[(2,4-dimethylanilino)carbonyl]-4-methyl-3-thiophenecarboxylate?
The CAS number of isopropyl 2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-5-[(2,4-dimethylanilino)carbonyl]-4-methyl-3-thiophenecarboxylate is 444924-54-3.
What is the molecular formula of isopropyl 2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-5-[(2,4-dimethylanilino)carbonyl]-4-methyl-3-thiophenecarboxylate?
The molecular formula of isopropyl 2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-5-[(2,4-dimethylanilino)carbonyl]-4-methyl-3-thiophenecarboxylate is C26H26N2O6S.
What is the molecular weight of isopropyl 2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-5-[(2,4-dimethylanilino)carbonyl]-4-methyl-3-thiophenecarboxylate?
The molecular weight of isopropyl 2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-5-[(2,4-dimethylanilino)carbonyl]-4-methyl-3-thiophenecarboxylate is 494.15 g/mol.
Where can I buy isopropyl 2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-5-[(2,4-dimethylanilino)carbonyl]-4-methyl-3-thiophenecarboxylate?
You can request a quote for isopropyl 2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-5-[(2,4-dimethylanilino)carbonyl]-4-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-[(1,3-benzodioxol-5-ylcarbonyl)amino]-5-[(2,4-dimethylanilino)carbonyl]-4-methyl-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for isopropyl 2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-5-[(2,4-dimethylanilino)carbonyl]-4-methyl-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.