Ethyl 2-benzamido-6-bromo-7-hydroxy-1-benzothiophene-3-carboxylate
TL;DR: Ethyl 2-benzamido-6-bromo-7-hydroxy-1-benzothiophene-3-carboxylate (CAS 113407-94-6) is a chemical compound with molecular formula C18H14BrNO4S and molecular weight 418.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-benzamido-6-bromo-7-hydroxy-1-benzothiophene-3-carboxylate
Also Known As: ethyl 2-benzamido-6-bromo-7-hydroxy-1-benzothiophene-3-carboxylate, ethyl 6-bromo-7-hydroxy-2-[(phenylcarbonyl)amino]-1-benzothiophene-3-carboxylate, Ethyl 2-benzamido-6-bromo-7-hydroxybenzo[b]thiophene-3-carboxylate, ethyl 2-benzamido-6-bromo-7-hydroxy-benzothiophene-3-carboxylate, ethyl 2-(benzoylamino)-6-bromo-7-hydroxy-1-benzothiophene-3-carboxylate
| Molecular Formula | C18H14BrNO4S |
|---|---|
| Molecular Weight | 418.98 g/mol |
| LogP | 4.7984 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 418.9827 |
| Heavy Atoms | 25 |
| Complexity | 952.6145 |
Chemical Identifiers
| CAS Number | 113407-94-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1C=CC(=C2O)Br)NC(=O)C3=CC=CC=C3 |
Product Overview
Ethyl 2-benzamido-6-bromo-7-hydroxy-1-benzothiophene-3-carboxylate (CAS 113407-94-6), with molecular formula C18H14BrNO4S and molecular weight 418.98 g/mol. IUPAC: ethyl 2-benzamido-6-bromo-7-hydroxy-1-benzothiophene-3-carboxylate.
Chemical Property Profile of Ethyl 2-benzamido-6-bromo-7-hydroxy-1-benzothiophene-3-carboxylate
Property Insights of Ethyl 2-benzamido-6-bromo-7-hydroxy-1-benzothiophene-3-carboxylate
The XLogP value of 4.7984 indicates that Ethyl 2-benzamido-6-bromo-7-hydroxy-1-benzothiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-benzamido-6-bromo-7-hydroxy-1-benzothiophene-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-benzamido-6-bromo-7-hydroxy-1-benzothiophene-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 2-benzamido-6-bromo-7-hydroxy-1-benzothiophene-3-carboxylate?
The CAS number of Ethyl 2-benzamido-6-bromo-7-hydroxy-1-benzothiophene-3-carboxylate is 113407-94-6.
What is the molecular formula of Ethyl 2-benzamido-6-bromo-7-hydroxy-1-benzothiophene-3-carboxylate?
The molecular formula of Ethyl 2-benzamido-6-bromo-7-hydroxy-1-benzothiophene-3-carboxylate is C18H14BrNO4S.
What is the molecular weight of Ethyl 2-benzamido-6-bromo-7-hydroxy-1-benzothiophene-3-carboxylate?
The molecular weight of Ethyl 2-benzamido-6-bromo-7-hydroxy-1-benzothiophene-3-carboxylate is 418.98 g/mol.
Where can I buy Ethyl 2-benzamido-6-bromo-7-hydroxy-1-benzothiophene-3-carboxylate?
You can request a quote for Ethyl 2-benzamido-6-bromo-7-hydroxy-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-benzamido-6-bromo-7-hydroxy-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-benzamido-6-bromo-7-hydroxy-1-benzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.