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Ethyl 7-acetamido-2-aminobenzo[b]thiophene-3-carboxylate
TL;DR: Ethyl 7-acetamido-2-aminobenzo[b]thiophene-3-carboxylate (CAS 108940-16-5) is a chemical compound with molecular formula C13H14N2O3S and molecular weight 278.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 7-acetamido-2-amino-1-benzothiophene-3-carboxylate
Also Known As: Ethyl 7-acetamido-2-aminobenzo[b]thiophene-3-carboxylate, ETHYL 2-AMINO-7-ACETAMIDO-1-BENZOTHIOPHENE-3-CARBOXYLATE, ethyl 7-acetamido-2-amino-1-benzothiophene-3-carboxylate, ethyl 7-acetamido-2-amino-benzothiophene-3-carboxylate, Ethyl7-acetamido-2-aminobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C13H14N2O3S |
|---|---|
| Molecular Weight | 278.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 278.0725 |
| Heavy Atoms | 19 |
| Complexity | 364.0 |
Chemical Identifiers
| CAS Number | 108940-16-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1C=CC=C2NC(=O)C)N |
| InChIKey | GGANELGZHHJHLQ-UHFFFAOYSA-N |
Product Overview
Ethyl 7-acetamido-2-aminobenzo[b]thiophene-3-carboxylate (CAS 108940-16-5), with molecular formula C13H14N2O3S and molecular weight 278.07 g/mol. IUPAC: ethyl 7-acetamido-2-amino-1-benzothiophene-3-carboxylate.
Chemical Property Profile of Ethyl 7-acetamido-2-aminobenzo[b]thiophene-3-carboxylate
Property Insights of Ethyl 7-acetamido-2-aminobenzo[b]thiophene-3-carboxylate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 7-acetamido-2-aminobenzo[b]thiophene-3-carboxylate. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 7-acetamido-2-aminobenzo[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 7-acetamido-2-aminobenzo[b]thiophene-3-carboxylate has 2 hydrogen bond donor(s) and 5 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 7-acetamido-2-aminobenzo[b]thiophene-3-carboxylate?
The CAS number of Ethyl 7-acetamido-2-aminobenzo[b]thiophene-3-carboxylate is 108940-16-5.
What is the molecular formula of Ethyl 7-acetamido-2-aminobenzo[b]thiophene-3-carboxylate?
The molecular formula of Ethyl 7-acetamido-2-aminobenzo[b]thiophene-3-carboxylate is C13H14N2O3S.
What is the molecular weight of Ethyl 7-acetamido-2-aminobenzo[b]thiophene-3-carboxylate?
The molecular weight of Ethyl 7-acetamido-2-aminobenzo[b]thiophene-3-carboxylate is 278.07 g/mol.
Where can I buy Ethyl 7-acetamido-2-aminobenzo[b]thiophene-3-carboxylate?
You can request a quote for Ethyl 7-acetamido-2-aminobenzo[b]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 Ethyl 7-acetamido-2-aminobenzo[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 7-acetamido-2-aminobenzo[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.