isopropyl 2-({2,4-bisnitrobenzoyl}amino)-4-(4-ethoxyphenyl)thiophene-3-carboxylate
TL;DR: isopropyl 2-({2,4-bisnitrobenzoyl}amino)-4-(4-ethoxyphenyl)thiophene-3-carboxylate (CAS 445004-42-2) is a chemical compound with molecular formula C23H21N3O8S and molecular weight 499.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[(2,4-dinitrobenzoyl)amino]-4-(4-ethoxyphenyl)thiophene-3-carboxylate
Also Known As: isopropyl 2-({2,4-bisnitrobenzoyl}amino)-4-(4-ethoxyphenyl)thiophene-3-carboxylate, propan-2-yl 2-[(2,4-dinitrobenzoyl)amino]-4-(4-ethoxyphenyl)thiophene-3-carboxylate, ISOPROPYL 2-(2,4-DINITROBENZAMIDO)-4-(4-ETHOXYPHENYL)THIOPHENE-3-CARBOXYLATE, ISOPROPYL 2-[(2,4-DINITROBENZOYL)AMINO]-4-(4-ETHOXYPHENYL)-3-THIOPHENECARBOXYLATE, propan-2-yl 2-{[(2,4-dinitrophenyl)carbonyl]amino}-4-(4-ethoxyphenyl)thiophene-3-carboxylate
| Molecular Formula | C23H21N3O8S |
|---|---|
| Molecular Weight | 499.10 g/mol |
| LogP | 5.4477 |
| Topological Polar Surface Area | 150.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 499.10495 |
| Heavy Atoms | 35 |
| Complexity | 1284.4186 |
Chemical Identifiers
| CAS Number | 445004-42-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC(C)C)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
isopropyl 2-({2,4-bisnitrobenzoyl}amino)-4-(4-ethoxyphenyl)thiophene-3-carboxylate (CAS 445004-42-2), with molecular formula C23H21N3O8S and molecular weight 499.10 g/mol. IUPAC: propan-2-yl 2-[(2,4-dinitrobenzoyl)amino]-4-(4-ethoxyphenyl)thiophene-3-carboxylate.
Chemical Property Profile of isopropyl 2-({2,4-bisnitrobenzoyl}amino)-4-(4-ethoxyphenyl)thiophene-3-carboxylate
Property Insights of isopropyl 2-({2,4-bisnitrobenzoyl}amino)-4-(4-ethoxyphenyl)thiophene-3-carboxylate
The XLogP value of 5.4477 indicates that isopropyl 2-({2,4-bisnitrobenzoyl}amino)-4-(4-ethoxyphenyl)thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 150.91 Ų indicates high polarity, suggesting isopropyl 2-({2,4-bisnitrobenzoyl}amino)-4-(4-ethoxyphenyl)thiophene-3-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, isopropyl 2-({2,4-bisnitrobenzoyl}amino)-4-(4-ethoxyphenyl)thiophene-3-carboxylate has 1 hydrogen bond donor(s) and 9 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-({2,4-bisnitrobenzoyl}amino)-4-(4-ethoxyphenyl)thiophene-3-carboxylate?
The CAS number of isopropyl 2-({2,4-bisnitrobenzoyl}amino)-4-(4-ethoxyphenyl)thiophene-3-carboxylate is 445004-42-2.
What is the molecular formula of isopropyl 2-({2,4-bisnitrobenzoyl}amino)-4-(4-ethoxyphenyl)thiophene-3-carboxylate?
The molecular formula of isopropyl 2-({2,4-bisnitrobenzoyl}amino)-4-(4-ethoxyphenyl)thiophene-3-carboxylate is C23H21N3O8S.
What is the molecular weight of isopropyl 2-({2,4-bisnitrobenzoyl}amino)-4-(4-ethoxyphenyl)thiophene-3-carboxylate?
The molecular weight of isopropyl 2-({2,4-bisnitrobenzoyl}amino)-4-(4-ethoxyphenyl)thiophene-3-carboxylate is 499.10 g/mol.
Where can I buy isopropyl 2-({2,4-bisnitrobenzoyl}amino)-4-(4-ethoxyphenyl)thiophene-3-carboxylate?
You can request a quote for isopropyl 2-({2,4-bisnitrobenzoyl}amino)-4-(4-ethoxyphenyl)thiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for isopropyl 2-({2,4-bisnitrobenzoyl}amino)-4-(4-ethoxyphenyl)thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for isopropyl 2-({2,4-bisnitrobenzoyl}amino)-4-(4-ethoxyphenyl)thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.