![4-ethyl 2-methyl 5-(3-chloro-7-nitrobenzo[b]thiophene-2-carboxamido)-3-methylthiophene-2,4-dicarboxylate structure](/static/products/879/879458-41-0.png)
4-ethyl 2-methyl 5-(3-chloro-7-nitrobenzo[b]thiophene-2-carboxamido)-3-methylthiophene-2,4-dicarboxylate
TL;DR: 4-ethyl 2-methyl 5-(3-chloro-7-nitrobenzo[b]thiophene-2-carboxamido)-3-methylthiophene-2,4-dicarboxylate (CAS 879458-41-0) is a chemical compound with molecular formula C19H15ClN2O7S2 and molecular weight 482.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-O-ethyl 2-O-methyl 5-[(3-chloro-7-nitro-1-benzothiophene-2-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate
Also Known As: 4-ethyl 2-methyl 5-(3-chloro-7-nitrobenzo[b]thiophene-2-carboxamido)-3-methylthiophene-2,4-dicarboxylate, 4-ethyl 2-methyl 5-{[(3-chloro-7-nitro-1-benzothiophen-2-yl)carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate, 4-O-ethyl 2-O-methyl 5-[(3-chloro-7-nitro-1-benzothiophene-2-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate
| Molecular Formula | C19H15ClN2O7S2 |
|---|---|
| Molecular Weight | 482.00 g/mol |
| LogP | 5.04842 |
| Topological Polar Surface Area | 124.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 482.00092 |
| Heavy Atoms | 31 |
| Complexity | 1231.7874 |
Chemical Identifiers
| CAS Number | 879458-41-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OC)NC(=O)C2=C(C3=C(S2)C(=CC=C3)[N+](=O)[O-])Cl |
Product Overview
4-ethyl 2-methyl 5-(3-chloro-7-nitrobenzo[b]thiophene-2-carboxamido)-3-methylthiophene-2,4-dicarboxylate (CAS 879458-41-0), with molecular formula C19H15ClN2O7S2 and molecular weight 482.00 g/mol. IUPAC: 4-O-ethyl 2-O-methyl 5-[(3-chloro-7-nitro-1-benzothiophene-2-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of 4-ethyl 2-methyl 5-(3-chloro-7-nitrobenzo[b]thiophene-2-carboxamido)-3-methylthiophene-2,4-dicarboxylate
Property Insights of 4-ethyl 2-methyl 5-(3-chloro-7-nitrobenzo[b]thiophene-2-carboxamido)-3-methylthiophene-2,4-dicarboxylate
The XLogP value of 5.04842 indicates that 4-ethyl 2-methyl 5-(3-chloro-7-nitrobenzo[b]thiophene-2-carboxamido)-3-methylthiophene-2,4-dicarboxylate 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 4-ethyl 2-methyl 5-(3-chloro-7-nitrobenzo[b]thiophene-2-carboxamido)-3-methylthiophene-2,4-dicarboxylate. Following Lipinski's Rule of Five, 4-ethyl 2-methyl 5-(3-chloro-7-nitrobenzo[b]thiophene-2-carboxamido)-3-methylthiophene-2,4-dicarboxylate 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 4-ethyl 2-methyl 5-(3-chloro-7-nitrobenzo[b]thiophene-2-carboxamido)-3-methylthiophene-2,4-dicarboxylate?
The CAS number of 4-ethyl 2-methyl 5-(3-chloro-7-nitrobenzo[b]thiophene-2-carboxamido)-3-methylthiophene-2,4-dicarboxylate is 879458-41-0.
What is the molecular formula of 4-ethyl 2-methyl 5-(3-chloro-7-nitrobenzo[b]thiophene-2-carboxamido)-3-methylthiophene-2,4-dicarboxylate?
The molecular formula of 4-ethyl 2-methyl 5-(3-chloro-7-nitrobenzo[b]thiophene-2-carboxamido)-3-methylthiophene-2,4-dicarboxylate is C19H15ClN2O7S2.
What is the molecular weight of 4-ethyl 2-methyl 5-(3-chloro-7-nitrobenzo[b]thiophene-2-carboxamido)-3-methylthiophene-2,4-dicarboxylate?
The molecular weight of 4-ethyl 2-methyl 5-(3-chloro-7-nitrobenzo[b]thiophene-2-carboxamido)-3-methylthiophene-2,4-dicarboxylate is 482.00 g/mol.
Where can I buy 4-ethyl 2-methyl 5-(3-chloro-7-nitrobenzo[b]thiophene-2-carboxamido)-3-methylthiophene-2,4-dicarboxylate?
You can request a quote for 4-ethyl 2-methyl 5-(3-chloro-7-nitrobenzo[b]thiophene-2-carboxamido)-3-methylthiophene-2,4-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-ethyl 2-methyl 5-(3-chloro-7-nitrobenzo[b]thiophene-2-carboxamido)-3-methylthiophene-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-ethyl 2-methyl 5-(3-chloro-7-nitrobenzo[b]thiophene-2-carboxamido)-3-methylthiophene-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.