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Ethyl 3-methyl-5-(5-nitrobenzo[b]thiophene-2-carboxamido)thiophene-2-carboxylate
TL;DR: Ethyl 3-methyl-5-(5-nitrobenzo[b]thiophene-2-carboxamido)thiophene-2-carboxylate (CAS 477568-06-2) is a chemical compound with molecular formula C17H14N2O5S2 and molecular weight 390.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-methyl-5-[(5-nitro-1-benzothiophene-2-carbonyl)amino]thiophene-2-carboxylate
Also Known As: ethyl 3-methyl-5-(5-nitro-1-benzothiophene-2-amido)thiophene-2-carboxylate, F0882-0835, ethyl 3-methyl-5-(5-nitrobenzo[b]thiophene-2-carboxamido)thiophene-2-carboxylate, ethyl 3-methyl-5-[(5-nitro-1-benzothiophene-2-carbonyl)amino]thiophene-2-carboxylate
| Molecular Formula | C17H14N2O5S2 |
|---|---|
| Molecular Weight | 390.03 g/mol |
| LogP | 4.60842 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 390.03442 |
| Heavy Atoms | 26 |
| Complexity | 1021.50696 |
Chemical Identifiers
| CAS Number | 477568-06-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(C=C(S1)NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])C |
Product Overview
Ethyl 3-methyl-5-(5-nitrobenzo[b]thiophene-2-carboxamido)thiophene-2-carboxylate (CAS 477568-06-2), with molecular formula C17H14N2O5S2 and molecular weight 390.03 g/mol. IUPAC: ethyl 3-methyl-5-[(5-nitro-1-benzothiophene-2-carbonyl)amino]thiophene-2-carboxylate.
Chemical Property Profile of Ethyl 3-methyl-5-(5-nitrobenzo[b]thiophene-2-carboxamido)thiophene-2-carboxylate
Property Insights of Ethyl 3-methyl-5-(5-nitrobenzo[b]thiophene-2-carboxamido)thiophene-2-carboxylate
The XLogP value of 4.60842 indicates that Ethyl 3-methyl-5-(5-nitrobenzo[b]thiophene-2-carboxamido)thiophene-2-carboxylate 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 Ethyl 3-methyl-5-(5-nitrobenzo[b]thiophene-2-carboxamido)thiophene-2-carboxylate. Following Lipinski's Rule of Five, Ethyl 3-methyl-5-(5-nitrobenzo[b]thiophene-2-carboxamido)thiophene-2-carboxylate has 1 hydrogen bond donor(s) and 7 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 Ethyl 3-methyl-5-(5-nitrobenzo[b]thiophene-2-carboxamido)thiophene-2-carboxylate?
The CAS number of Ethyl 3-methyl-5-(5-nitrobenzo[b]thiophene-2-carboxamido)thiophene-2-carboxylate is 477568-06-2.
What is the molecular formula of Ethyl 3-methyl-5-(5-nitrobenzo[b]thiophene-2-carboxamido)thiophene-2-carboxylate?
The molecular formula of Ethyl 3-methyl-5-(5-nitrobenzo[b]thiophene-2-carboxamido)thiophene-2-carboxylate is C17H14N2O5S2.
What is the molecular weight of Ethyl 3-methyl-5-(5-nitrobenzo[b]thiophene-2-carboxamido)thiophene-2-carboxylate?
The molecular weight of Ethyl 3-methyl-5-(5-nitrobenzo[b]thiophene-2-carboxamido)thiophene-2-carboxylate is 390.03 g/mol.
Where can I buy Ethyl 3-methyl-5-(5-nitrobenzo[b]thiophene-2-carboxamido)thiophene-2-carboxylate?
You can request a quote for Ethyl 3-methyl-5-(5-nitrobenzo[b]thiophene-2-carboxamido)thiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-methyl-5-(5-nitrobenzo[b]thiophene-2-carboxamido)thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-methyl-5-(5-nitrobenzo[b]thiophene-2-carboxamido)thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.