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Methyl 3-(5-chloro-2-nitrobenzamido)benzo[b]thiophene-2-carboxylate
TL;DR: Methyl 3-(5-chloro-2-nitrobenzamido)benzo[b]thiophene-2-carboxylate (CAS 477490-44-1) is a chemical compound with molecular formula C17H11ClN2O5S and molecular weight 390.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(5-chloro-2-nitrobenzoyl)amino]-1-benzothiophene-2-carboxylate
Also Known As: AB00685205-01, methyl 3-(5-chloro-2-nitrobenzamido)benzo[b]thiophene-2-carboxylate, methyl 3-(5-chloro-2-nitrobenzamido)-1-benzothiophene-2-carboxylate, F0806-0060, methyl 3-[(5-chloro-2-nitrobenzoyl)amino]-1-benzothiophene-2-carboxylate
| Molecular Formula | C17H11ClN2O5S |
|---|---|
| Molecular Weight | 390.01 g/mol |
| LogP | 4.5018 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 390.00772 |
| Heavy Atoms | 26 |
| Complexity | 1046.8093 |
Chemical Identifiers
| CAS Number | 477490-44-1 |
|---|---|
| SMILES | COC(=O)C1=C(C2=CC=CC=C2S1)NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-] |
Product Overview
Methyl 3-(5-chloro-2-nitrobenzamido)benzo[b]thiophene-2-carboxylate (CAS 477490-44-1), with molecular formula C17H11ClN2O5S and molecular weight 390.01 g/mol. IUPAC: methyl 3-[(5-chloro-2-nitrobenzoyl)amino]-1-benzothiophene-2-carboxylate.
Chemical Property Profile of Methyl 3-(5-chloro-2-nitrobenzamido)benzo[b]thiophene-2-carboxylate
Property Insights of Methyl 3-(5-chloro-2-nitrobenzamido)benzo[b]thiophene-2-carboxylate
The XLogP value of 4.5018 indicates that Methyl 3-(5-chloro-2-nitrobenzamido)benzo[b]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 Methyl 3-(5-chloro-2-nitrobenzamido)benzo[b]thiophene-2-carboxylate. Following Lipinski's Rule of Five, Methyl 3-(5-chloro-2-nitrobenzamido)benzo[b]thiophene-2-carboxylate has 1 hydrogen bond donor(s) and 6 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 Methyl 3-(5-chloro-2-nitrobenzamido)benzo[b]thiophene-2-carboxylate?
The CAS number of Methyl 3-(5-chloro-2-nitrobenzamido)benzo[b]thiophene-2-carboxylate is 477490-44-1.
What is the molecular formula of Methyl 3-(5-chloro-2-nitrobenzamido)benzo[b]thiophene-2-carboxylate?
The molecular formula of Methyl 3-(5-chloro-2-nitrobenzamido)benzo[b]thiophene-2-carboxylate is C17H11ClN2O5S.
What is the molecular weight of Methyl 3-(5-chloro-2-nitrobenzamido)benzo[b]thiophene-2-carboxylate?
The molecular weight of Methyl 3-(5-chloro-2-nitrobenzamido)benzo[b]thiophene-2-carboxylate is 390.01 g/mol.
Where can I buy Methyl 3-(5-chloro-2-nitrobenzamido)benzo[b]thiophene-2-carboxylate?
You can request a quote for Methyl 3-(5-chloro-2-nitrobenzamido)benzo[b]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 Methyl 3-(5-chloro-2-nitrobenzamido)benzo[b]thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(5-chloro-2-nitrobenzamido)benzo[b]thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.