Ethyl (5-bromothiophen-2-yl)(oxo)acetate
TL;DR: Ethyl (5-bromothiophen-2-yl)(oxo)acetate (CAS 22098-10-8) is a chemical compound with molecular formula C8H7BrO3S and molecular weight 261.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(5-bromothiophen-2-yl)-2-oxoacetate
Also Known As: ethyl 2-(5-bromothiophen-2-yl)-2-oxoacetate, Ethyl (5-bromothien-2-yl)glyoxylate, 1-Isopropylpiperazine, Ethyl 5-bromothiophene-2-glyoxylate, Ethyl 2-(5-bromo-2-thienyl)-2-oxoacetate
| Molecular Formula | C8H7BrO3S |
|---|---|
| Molecular Weight | 261.93 g/mol |
| LogP | 2.2564 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.92993 |
| Heavy Atoms | 13 |
| Complexity | 331.88507 |
Chemical Identifiers
| CAS Number | 22098-10-8 |
|---|---|
| SMILES | CCOC(=O)C(=O)C1=CC=C(S1)Br |
Product Overview
Ethyl (5-bromothiophen-2-yl)(oxo)acetate (CAS 22098-10-8), with molecular formula C8H7BrO3S and molecular weight 261.93 g/mol. IUPAC: ethyl 2-(5-bromothiophen-2-yl)-2-oxoacetate.
Chemical Property Profile of Ethyl (5-bromothiophen-2-yl)(oxo)acetate
Property Insights of Ethyl (5-bromothiophen-2-yl)(oxo)acetate
The XLogP value of 2.2564 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (5-bromothiophen-2-yl)(oxo)acetate. With a topological polar surface area (TPSA) of 43.37 Ų, Ethyl (5-bromothiophen-2-yl)(oxo)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl (5-bromothiophen-2-yl)(oxo)acetate has 0 hydrogen bond donor(s) and 4 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 (5-bromothiophen-2-yl)(oxo)acetate?
The CAS number of Ethyl (5-bromothiophen-2-yl)(oxo)acetate is 22098-10-8.
What is the molecular formula of Ethyl (5-bromothiophen-2-yl)(oxo)acetate?
The molecular formula of Ethyl (5-bromothiophen-2-yl)(oxo)acetate is C8H7BrO3S.
What is the molecular weight of Ethyl (5-bromothiophen-2-yl)(oxo)acetate?
The molecular weight of Ethyl (5-bromothiophen-2-yl)(oxo)acetate is 261.93 g/mol.
Where can I buy Ethyl (5-bromothiophen-2-yl)(oxo)acetate?
You can request a quote for Ethyl (5-bromothiophen-2-yl)(oxo)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (5-bromothiophen-2-yl)(oxo)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (5-bromothiophen-2-yl)(oxo)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.