Ethyl 2-amino-6-bromo-7-methoxy-1-benzothiophene-3-carboxylate
TL;DR: Ethyl 2-amino-6-bromo-7-methoxy-1-benzothiophene-3-carboxylate (CAS 136800-72-1) is a chemical compound with molecular formula C12H12BrNO3S and molecular weight 328.97214 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-amino-6-bromo-7-methoxy-1-benzothiophene-3-carboxylate
Also Known As: starbld0034259, ethyl 2-amino-6-bromo-7-methoxy-1-benzothiophene-3-carboxylate, BAS 00191696, AB00074203-01, AH-262/34335059
Technical Specifications
| Molecular Formula | C12H12BrNO3S |
| Molecular Weight | 328.97214 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 89.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 328.97214 Da |
| Heavy Atoms | 18 |
| Complexity | 318.0 |
| SMILES | CCOC(=O)C1=C(SC2=C1C=CC(=C2OC)Br)N |
| InChIKey | IEHYVYZADVHGFF-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 2-amino-6-bromo-7-methoxy-1-benzothiophene-3-carboxylate
Property Insights of Ethyl 2-amino-6-bromo-7-methoxy-1-benzothiophene-3-carboxylate
The XLogP value of 4.0 indicates that Ethyl 2-amino-6-bromo-7-methoxy-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-methoxy-1-benzothiophene-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-amino-6-bromo-7-methoxy-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
What is the CAS number of Ethyl 2-amino-6-bromo-7-methoxy-1-benzothiophene-3-carboxylate?
The CAS number of Ethyl 2-amino-6-bromo-7-methoxy-1-benzothiophene-3-carboxylate is 136800-72-1.
What is the molecular formula of Ethyl 2-amino-6-bromo-7-methoxy-1-benzothiophene-3-carboxylate?
The molecular formula of Ethyl 2-amino-6-bromo-7-methoxy-1-benzothiophene-3-carboxylate is C12H12BrNO3S.
What is the molecular weight of Ethyl 2-amino-6-bromo-7-methoxy-1-benzothiophene-3-carboxylate?
The molecular weight of Ethyl 2-amino-6-bromo-7-methoxy-1-benzothiophene-3-carboxylate is 328.97214 g/mol.
Where can I buy Ethyl 2-amino-6-bromo-7-methoxy-1-benzothiophene-3-carboxylate?
You can request a quote for Ethyl 2-amino-6-bromo-7-methoxy-1-benzothiophene-3-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 2-amino-6-bromo-7-methoxy-1-benzothiophene-3-carboxylate?
Yes, CoreyChem provides custom synthesis services for Ethyl 2-amino-6-bromo-7-methoxy-1-benzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.