Ethyl 2-amino-6-bromo-7-ethoxy-1-benzothiophene-3-carboxylate
TL;DR: Ethyl 2-amino-6-bromo-7-ethoxy-1-benzothiophene-3-carboxylate (CAS 299962-53-1) is a chemical compound with molecular formula C13H14BrNO3S and molecular weight 342.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-amino-6-bromo-7-ethoxy-1-benzothiophene-3-carboxylate
Also Known As: TimTec1_001166, ethyl 2-amino-6-bromo-7-ethoxy-1-benzothiophene-3-carboxylate, BAS 00024425, ethyl 2-amino-6-bromo-7-ethoxybenzo[b]thiophene-3-carboxylate, AH-262/31831063
| Molecular Formula | C13H14BrNO3S |
|---|---|
| Molecular Weight | 342.99 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 89.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 342.9878 |
| Heavy Atoms | 19 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 299962-53-1 |
|---|---|
| SMILES | CCOC1=C(C=CC2=C1SC(=C2C(=O)OCC)N)Br |
| InChIKey | KSIZMUBFKCWQRO-UHFFFAOYSA-N |
Product Overview
Ethyl 2-amino-6-bromo-7-ethoxy-1-benzothiophene-3-carboxylate (CAS 299962-53-1), with molecular formula C13H14BrNO3S and molecular weight 342.99 g/mol. IUPAC: ethyl 2-amino-6-bromo-7-ethoxy-1-benzothiophene-3-carboxylate.
Chemical Property Profile of Ethyl 2-amino-6-bromo-7-ethoxy-1-benzothiophene-3-carboxylate
Property Insights of Ethyl 2-amino-6-bromo-7-ethoxy-1-benzothiophene-3-carboxylate
The XLogP value of 4.4 indicates that Ethyl 2-amino-6-bromo-7-ethoxy-1-benzothiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-amino-6-bromo-7-ethoxy-1-benzothiophene-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-amino-6-bromo-7-ethoxy-1-benzothiophene-3-carboxylate has 1 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 2-amino-6-bromo-7-ethoxy-1-benzothiophene-3-carboxylate?
The CAS number of Ethyl 2-amino-6-bromo-7-ethoxy-1-benzothiophene-3-carboxylate is 299962-53-1.
What is the molecular formula of Ethyl 2-amino-6-bromo-7-ethoxy-1-benzothiophene-3-carboxylate?
The molecular formula of Ethyl 2-amino-6-bromo-7-ethoxy-1-benzothiophene-3-carboxylate is C13H14BrNO3S.
What is the molecular weight of Ethyl 2-amino-6-bromo-7-ethoxy-1-benzothiophene-3-carboxylate?
The molecular weight of Ethyl 2-amino-6-bromo-7-ethoxy-1-benzothiophene-3-carboxylate is 342.99 g/mol.
Where can I buy Ethyl 2-amino-6-bromo-7-ethoxy-1-benzothiophene-3-carboxylate?
You can request a quote for Ethyl 2-amino-6-bromo-7-ethoxy-1-benzothiophene-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 2-amino-6-bromo-7-ethoxy-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-amino-6-bromo-7-ethoxy-1-benzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.