![isopropyl 5-[(2,4-dimethylanilino)carbonyl]-2-({3-nitro-4-methoxybenzoyl}amino)-4-methyl-3-thiophenecarboxylate structure](/static/products/4449/444931-74-2.webp)
isopropyl 5-[(2,4-dimethylanilino)carbonyl]-2-({3-nitro-4-methoxybenzoyl}amino)-4-methyl-3-thiophenecarboxylate
TL;DR: isopropyl 5-[(2,4-dimethylanilino)carbonyl]-2-({3-nitro-4-methoxybenzoyl}amino)-4-methyl-3-thiophenecarboxylate (CAS 444931-74-2) is a chemical compound with molecular formula C26H27N3O7S and molecular weight 525.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 5-[(2,4-dimethylphenyl)carbamoyl]-2-[(4-methoxy-3-nitrobenzoyl)amino]-4-methylthiophene-3-carboxylate
Also Known As: isopropyl 5-[(2,4-dimethylanilino)carbonyl]-2-({3-nitro-4-methoxybenzoyl}amino)-4-methyl-3-thiophenecarboxylate, propan-2-yl 5-[(2,4-dimethylphenyl)carbamoyl]-2-[(4-methoxy-3-nitrobenzoyl)amino]-4-methylthiophene-3-carboxylate, isopropyl 5-((2,4-dimethylphenyl)carbamoyl)-2-(4-methoxy-3-nitrobenzamido)-4-methylthiophene-3-carboxylate, methylethyl 5-[N-(2,4-dimethylphenyl)carbamoyl]-2-[(4-methoxy-3-nitrophenyl)ca rbonylamino]-4-methylthiophene-3-carboxylate, propan-2-yl 5-[(2,4-dimethylphenyl)carbamoyl]-2-{[(4-methoxy-3-nitrophenyl)carbonyl]amino}-4-methylthiophene-3-carboxylate
| Molecular Formula | C26H27N3O7S |
|---|---|
| Molecular Weight | 525.16 g/mol |
| LogP | 5.65996 |
| Topological Polar Surface Area | 136.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 525.157 |
| Heavy Atoms | 37 |
| Complexity | 1395.0474 |
Chemical Identifiers
| CAS Number | 444931-74-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NC(=O)C2=C(C(=C(S2)NC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-])C(=O)OC(C)C)C)C |
Product Overview
isopropyl 5-[(2,4-dimethylanilino)carbonyl]-2-({3-nitro-4-methoxybenzoyl}amino)-4-methyl-3-thiophenecarboxylate (CAS 444931-74-2), with molecular formula C26H27N3O7S and molecular weight 525.16 g/mol. IUPAC: propan-2-yl 5-[(2,4-dimethylphenyl)carbamoyl]-2-[(4-methoxy-3-nitrobenzoyl)amino]-4-methylthiophene-3-carboxylate.
Chemical Property Profile of isopropyl 5-[(2,4-dimethylanilino)carbonyl]-2-({3-nitro-4-methoxybenzoyl}amino)-4-methyl-3-thiophenecarboxylate
Property Insights of isopropyl 5-[(2,4-dimethylanilino)carbonyl]-2-({3-nitro-4-methoxybenzoyl}amino)-4-methyl-3-thiophenecarboxylate
The XLogP value of 5.65996 indicates that isopropyl 5-[(2,4-dimethylanilino)carbonyl]-2-({3-nitro-4-methoxybenzoyl}amino)-4-methyl-3-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 136.87 Ų falls within the moderate polarity range, balancing permeability and solubility for isopropyl 5-[(2,4-dimethylanilino)carbonyl]-2-({3-nitro-4-methoxybenzoyl}amino)-4-methyl-3-thiophenecarboxylate. Following Lipinski's Rule of Five, isopropyl 5-[(2,4-dimethylanilino)carbonyl]-2-({3-nitro-4-methoxybenzoyl}amino)-4-methyl-3-thiophenecarboxylate has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of isopropyl 5-[(2,4-dimethylanilino)carbonyl]-2-({3-nitro-4-methoxybenzoyl}amino)-4-methyl-3-thiophenecarboxylate?
The CAS number of isopropyl 5-[(2,4-dimethylanilino)carbonyl]-2-({3-nitro-4-methoxybenzoyl}amino)-4-methyl-3-thiophenecarboxylate is 444931-74-2.
What is the molecular formula of isopropyl 5-[(2,4-dimethylanilino)carbonyl]-2-({3-nitro-4-methoxybenzoyl}amino)-4-methyl-3-thiophenecarboxylate?
The molecular formula of isopropyl 5-[(2,4-dimethylanilino)carbonyl]-2-({3-nitro-4-methoxybenzoyl}amino)-4-methyl-3-thiophenecarboxylate is C26H27N3O7S.
What is the molecular weight of isopropyl 5-[(2,4-dimethylanilino)carbonyl]-2-({3-nitro-4-methoxybenzoyl}amino)-4-methyl-3-thiophenecarboxylate?
The molecular weight of isopropyl 5-[(2,4-dimethylanilino)carbonyl]-2-({3-nitro-4-methoxybenzoyl}amino)-4-methyl-3-thiophenecarboxylate is 525.16 g/mol.
Where can I buy isopropyl 5-[(2,4-dimethylanilino)carbonyl]-2-({3-nitro-4-methoxybenzoyl}amino)-4-methyl-3-thiophenecarboxylate?
You can request a quote for isopropyl 5-[(2,4-dimethylanilino)carbonyl]-2-({3-nitro-4-methoxybenzoyl}amino)-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 5-[(2,4-dimethylanilino)carbonyl]-2-({3-nitro-4-methoxybenzoyl}amino)-4-methyl-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for isopropyl 5-[(2,4-dimethylanilino)carbonyl]-2-({3-nitro-4-methoxybenzoyl}amino)-4-methyl-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.