isopropyl 2-({3-nitro-4-methylbenzoyl}amino)-4-(4-methylphenyl)-3-thiophenecarboxylate
TL;DR: isopropyl 2-({3-nitro-4-methylbenzoyl}amino)-4-(4-methylphenyl)-3-thiophenecarboxylate (CAS 444933-77-1) is a chemical compound with molecular formula C23H22N2O5S and molecular weight 438.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[(4-methyl-3-nitrobenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate
Also Known As: isopropyl 2-({3-nitro-4-methylbenzoyl}amino)-4-(4-methylphenyl)-3-thiophenecarboxylate, propan-2-yl 2-[(4-methyl-3-nitrobenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate, isopropyl 2-(4-methyl-3-nitrobenzamido)-4-(p-tolyl)thiophene-3-carboxylate, ISOPROPYL 2-[(4-METHYL-3-NITROBENZOYL)AMINO]-4-(4-METHYLPHENYL)-3-THIOPHENECARBOXYLATE, propan-2-yl 2-{[(4-methyl-3-nitrophenyl)carbonyl]amino}-4-(4-methylphenyl)thiophene-3-carboxylate
| Molecular Formula | C23H22N2O5S |
|---|---|
| Molecular Weight | 438.12 g/mol |
| LogP | 5.75764 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 438.12494 |
| Heavy Atoms | 31 |
| Complexity | 1149.2736 |
Chemical Identifiers
| CAS Number | 444933-77-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC(C)C)NC(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-] |
Product Overview
isopropyl 2-({3-nitro-4-methylbenzoyl}amino)-4-(4-methylphenyl)-3-thiophenecarboxylate (CAS 444933-77-1), with molecular formula C23H22N2O5S and molecular weight 438.12 g/mol. IUPAC: propan-2-yl 2-[(4-methyl-3-nitrobenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate.
Chemical Property Profile of isopropyl 2-({3-nitro-4-methylbenzoyl}amino)-4-(4-methylphenyl)-3-thiophenecarboxylate
Property Insights of isopropyl 2-({3-nitro-4-methylbenzoyl}amino)-4-(4-methylphenyl)-3-thiophenecarboxylate
The XLogP value of 5.75764 indicates that isopropyl 2-({3-nitro-4-methylbenzoyl}amino)-4-(4-methylphenyl)-3-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for isopropyl 2-({3-nitro-4-methylbenzoyl}amino)-4-(4-methylphenyl)-3-thiophenecarboxylate. Following Lipinski's Rule of Five, isopropyl 2-({3-nitro-4-methylbenzoyl}amino)-4-(4-methylphenyl)-3-thiophenecarboxylate has 1 hydrogen bond donor(s) and 6 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-({3-nitro-4-methylbenzoyl}amino)-4-(4-methylphenyl)-3-thiophenecarboxylate?
The CAS number of isopropyl 2-({3-nitro-4-methylbenzoyl}amino)-4-(4-methylphenyl)-3-thiophenecarboxylate is 444933-77-1.
What is the molecular formula of isopropyl 2-({3-nitro-4-methylbenzoyl}amino)-4-(4-methylphenyl)-3-thiophenecarboxylate?
The molecular formula of isopropyl 2-({3-nitro-4-methylbenzoyl}amino)-4-(4-methylphenyl)-3-thiophenecarboxylate is C23H22N2O5S.
What is the molecular weight of isopropyl 2-({3-nitro-4-methylbenzoyl}amino)-4-(4-methylphenyl)-3-thiophenecarboxylate?
The molecular weight of isopropyl 2-({3-nitro-4-methylbenzoyl}amino)-4-(4-methylphenyl)-3-thiophenecarboxylate is 438.12 g/mol.
Where can I buy isopropyl 2-({3-nitro-4-methylbenzoyl}amino)-4-(4-methylphenyl)-3-thiophenecarboxylate?
You can request a quote for isopropyl 2-({3-nitro-4-methylbenzoyl}amino)-4-(4-methylphenyl)-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-({3-nitro-4-methylbenzoyl}amino)-4-(4-methylphenyl)-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for isopropyl 2-({3-nitro-4-methylbenzoyl}amino)-4-(4-methylphenyl)-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.