2-Cyanoethyl 2-bromoacetate
TL;DR: 2-Cyanoethyl 2-bromoacetate (CAS 89322-55-4) is a chemical compound with molecular formula C5H6BrNO2 and molecular weight 190.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyanoethyl 2-bromoacetate
Also Known As: 2-cyanoethyl 2-bromoacetate, 2-cyanoethyl bromoacetate, Acetic acid, 2-bromo-,2-cyanoethyl ester, RefChem:259692
| Molecular Formula | C5H6BrNO2 |
|---|---|
| Molecular Weight | 190.96 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 190.95819 |
| Heavy Atoms | 9 |
| Complexity | 137.0 |
Chemical Identifiers
| CAS Number | 89322-55-4 |
|---|---|
| SMILES | C(COC(=O)CBr)C#N |
| InChIKey | ZWXPYAZRHKKWDL-UHFFFAOYSA-N |
Product Overview
2-Cyanoethyl 2-bromoacetate (CAS 89322-55-4), with molecular formula C5H6BrNO2 and molecular weight 190.96 g/mol. IUPAC: 2-cyanoethyl 2-bromoacetate.
Chemical Property Profile of 2-Cyanoethyl 2-bromoacetate
Property Insights of 2-Cyanoethyl 2-bromoacetate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyanoethyl 2-bromoacetate. With a topological polar surface area (TPSA) of 50.1 Ų, 2-Cyanoethyl 2-bromoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Cyanoethyl 2-bromoacetate has 0 hydrogen bond donor(s) and 3 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 2-Cyanoethyl 2-bromoacetate?
The CAS number of 2-Cyanoethyl 2-bromoacetate is 89322-55-4.
What is the molecular formula of 2-Cyanoethyl 2-bromoacetate?
The molecular formula of 2-Cyanoethyl 2-bromoacetate is C5H6BrNO2.
What is the molecular weight of 2-Cyanoethyl 2-bromoacetate?
The molecular weight of 2-Cyanoethyl 2-bromoacetate is 190.96 g/mol.
Where can I buy 2-Cyanoethyl 2-bromoacetate?
You can request a quote for 2-Cyanoethyl 2-bromoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyanoethyl 2-bromoacetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyanoethyl 2-bromoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.