Ethyl 2-amino-7-(benzyloxy)-6-bromo-1-benzothiophene-3-carboxylate
TL;DR: Ethyl 2-amino-7-(benzyloxy)-6-bromo-1-benzothiophene-3-carboxylate (CAS 136800-73-2) is a chemical compound with molecular formula C18H16BrNO3S and molecular weight 405.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-amino-6-bromo-7-phenylmethoxy-1-benzothiophene-3-carboxylate
Also Known As: BAS 00024370, ethyl 2-amino-7-(benzyloxy)-6-bromo-1-benzothiophene-3-carboxylate, AH-262/34335060, ethyl 2-amino-7-(benzyloxy)-6-bromobenzo[b]thiophene-3-carboxylate, ethyl 2-amino-6-bromo-7-phenylmethoxy-1-benzothiophene-3-carboxylate
| Molecular Formula | C18H16BrNO3S |
|---|---|
| Molecular Weight | 405.00 g/mol |
| LogP | 5.0017 |
| Topological Polar Surface Area | 61.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 405.00342 |
| Heavy Atoms | 24 |
| Complexity | 876.8513 |
Chemical Identifiers
| CAS Number | 136800-73-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1C=CC(=C2OCC3=CC=CC=C3)Br)N |
Product Overview
Ethyl 2-amino-7-(benzyloxy)-6-bromo-1-benzothiophene-3-carboxylate (CAS 136800-73-2), with molecular formula C18H16BrNO3S and molecular weight 405.00 g/mol. IUPAC: ethyl 2-amino-6-bromo-7-phenylmethoxy-1-benzothiophene-3-carboxylate.
Chemical Property Profile of Ethyl 2-amino-7-(benzyloxy)-6-bromo-1-benzothiophene-3-carboxylate
Property Insights of Ethyl 2-amino-7-(benzyloxy)-6-bromo-1-benzothiophene-3-carboxylate
The XLogP value of 5.0017 indicates that Ethyl 2-amino-7-(benzyloxy)-6-bromo-1-benzothiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.55 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-amino-7-(benzyloxy)-6-bromo-1-benzothiophene-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-amino-7-(benzyloxy)-6-bromo-1-benzothiophene-3-carboxylate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 2-amino-7-(benzyloxy)-6-bromo-1-benzothiophene-3-carboxylate?
The CAS number of Ethyl 2-amino-7-(benzyloxy)-6-bromo-1-benzothiophene-3-carboxylate is 136800-73-2.
What is the molecular formula of Ethyl 2-amino-7-(benzyloxy)-6-bromo-1-benzothiophene-3-carboxylate?
The molecular formula of Ethyl 2-amino-7-(benzyloxy)-6-bromo-1-benzothiophene-3-carboxylate is C18H16BrNO3S.
What is the molecular weight of Ethyl 2-amino-7-(benzyloxy)-6-bromo-1-benzothiophene-3-carboxylate?
The molecular weight of Ethyl 2-amino-7-(benzyloxy)-6-bromo-1-benzothiophene-3-carboxylate is 405.00 g/mol.
Where can I buy Ethyl 2-amino-7-(benzyloxy)-6-bromo-1-benzothiophene-3-carboxylate?
You can request a quote for Ethyl 2-amino-7-(benzyloxy)-6-bromo-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-7-(benzyloxy)-6-bromo-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-amino-7-(benzyloxy)-6-bromo-1-benzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.