2-ethyl 4-propyl 5-({2-chloro-4-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate
TL;DR: 2-ethyl 4-propyl 5-({2-chloro-4-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate (CAS 445002-07-3) is a chemical compound with molecular formula C19H19ClN2O7S and molecular weight 454.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-O-ethyl 4-O-propyl 5-[(2-chloro-4-nitrobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
Also Known As: 2-ethyl 4-propyl 5-({2-chloro-4-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate, 2-O-ethyl 4-O-propyl 5-[(2-chloro-4-nitrobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate, 2-ETHYL 4-PROPYL 5-(2-CHLORO-4-NITROBENZAMIDO)-3-METHYLTHIOPHENE-2,4-DICARBOXYLATE, 2-ethyl 4-propyl 5-{[(2-chloro-4-nitrophenyl)carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate, ethyl 5-[(2-chloro-4-nitrophenyl)carbonylamino]-3-methyl-4-(propoxycarbonyl)th iophene-2-carboxylate
| Molecular Formula | C19H19ClN2O7S |
|---|---|
| Molecular Weight | 454.06 g/mol |
| LogP | 4.61392 |
| Topological Polar Surface Area | 124.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 454.06015 |
| Heavy Atoms | 30 |
| Complexity | 1003.0094 |
Chemical Identifiers
| CAS Number | 445002-07-3 |
|---|---|
| SMILES | CCCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl |
Product Overview
2-ethyl 4-propyl 5-({2-chloro-4-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate (CAS 445002-07-3), with molecular formula C19H19ClN2O7S and molecular weight 454.06 g/mol. IUPAC: 2-O-ethyl 4-O-propyl 5-[(2-chloro-4-nitrobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of 2-ethyl 4-propyl 5-({2-chloro-4-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate
Property Insights of 2-ethyl 4-propyl 5-({2-chloro-4-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate
The XLogP value of 4.61392 indicates that 2-ethyl 4-propyl 5-({2-chloro-4-nitrobenzoyl}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 2-ethyl 4-propyl 5-({2-chloro-4-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate. Following Lipinski's Rule of Five, 2-ethyl 4-propyl 5-({2-chloro-4-nitrobenzoyl}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 2-ethyl 4-propyl 5-({2-chloro-4-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate?
The CAS number of 2-ethyl 4-propyl 5-({2-chloro-4-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate is 445002-07-3.
What is the molecular formula of 2-ethyl 4-propyl 5-({2-chloro-4-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate?
The molecular formula of 2-ethyl 4-propyl 5-({2-chloro-4-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate is C19H19ClN2O7S.
What is the molecular weight of 2-ethyl 4-propyl 5-({2-chloro-4-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate?
The molecular weight of 2-ethyl 4-propyl 5-({2-chloro-4-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate is 454.06 g/mol.
Where can I buy 2-ethyl 4-propyl 5-({2-chloro-4-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate?
You can request a quote for 2-ethyl 4-propyl 5-({2-chloro-4-nitrobenzoyl}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 2-ethyl 4-propyl 5-({2-chloro-4-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-ethyl 4-propyl 5-({2-chloro-4-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.