diisopropyl 5-({4-nitro-3-methylbenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate
TL;DR: diisopropyl 5-({4-nitro-3-methylbenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate (CAS 445250-56-6) is a chemical compound with molecular formula C21H24N2O7S and molecular weight 448.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dipropan-2-yl 3-methyl-5-[(3-methyl-4-nitrobenzoyl)amino]thiophene-2,4-dicarboxylate
Also Known As: diisopropyl 5-({4-nitro-3-methylbenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate, dipropan-2-yl 3-methyl-5-[(3-methyl-4-nitrobenzoyl)amino]thiophene-2,4-dicarboxylate, diisopropyl 3-methyl-5-(3-methyl-4-nitrobenzamido)thiophene-2,4-dicarboxylate, dipropan-2-yl 3-methyl-5-{[(3-methyl-4-nitrophenyl)carbonyl]amino}thiophene-2,4-dicarboxylate, methylethyl 3-methyl-4-[(methylethyl)oxycarbonyl]-5-[(3-methyl-4-nitrophenyl)c arbonylamino]thiophene-2-carboxylate
| Molecular Formula | C21H24N2O7S |
|---|---|
| Molecular Weight | 448.13 g/mol |
| LogP | 4.65584 |
| Topological Polar Surface Area | 124.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 448.13043 |
| Heavy Atoms | 31 |
| Complexity | 1040.5895 |
Chemical Identifiers
| CAS Number | 445250-56-6 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(=O)NC2=C(C(=C(S2)C(=O)OC(C)C)C)C(=O)OC(C)C)[N+](=O)[O-] |
Product Overview
diisopropyl 5-({4-nitro-3-methylbenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate (CAS 445250-56-6), with molecular formula C21H24N2O7S and molecular weight 448.13 g/mol. IUPAC: dipropan-2-yl 3-methyl-5-[(3-methyl-4-nitrobenzoyl)amino]thiophene-2,4-dicarboxylate.
Chemical Property Profile of diisopropyl 5-({4-nitro-3-methylbenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate
Property Insights of diisopropyl 5-({4-nitro-3-methylbenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate
The XLogP value of 4.65584 indicates that diisopropyl 5-({4-nitro-3-methylbenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.84 Ų falls within the moderate polarity range, balancing permeability and solubility for diisopropyl 5-({4-nitro-3-methylbenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate. Following Lipinski's Rule of Five, diisopropyl 5-({4-nitro-3-methylbenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of diisopropyl 5-({4-nitro-3-methylbenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate?
The CAS number of diisopropyl 5-({4-nitro-3-methylbenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate is 445250-56-6.
What is the molecular formula of diisopropyl 5-({4-nitro-3-methylbenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate?
The molecular formula of diisopropyl 5-({4-nitro-3-methylbenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate is C21H24N2O7S.
What is the molecular weight of diisopropyl 5-({4-nitro-3-methylbenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate?
The molecular weight of diisopropyl 5-({4-nitro-3-methylbenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate is 448.13 g/mol.
Where can I buy diisopropyl 5-({4-nitro-3-methylbenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate?
You can request a quote for diisopropyl 5-({4-nitro-3-methylbenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for diisopropyl 5-({4-nitro-3-methylbenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for diisopropyl 5-({4-nitro-3-methylbenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.