Ethyl 2-(4-cyanopyridinium-1-yl)acetate bromide
TL;DR: Ethyl 2-(4-cyanopyridinium-1-yl)acetate bromide (CAS 15591-99-8) is a chemical compound with molecular formula C10H11BrN2O2 and molecular weight 270.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4-cyanopyridin-1-ium-1-yl)acetate bromide
Also Known As: ethyl 2-(4-cyanopyridinium-1-yl)acetate bromide, Ethyl 2-(4-cyanopyridin-1-yl)acetate Bromide, 4-cyano-1-(2-ethoxy-2-oxoethyl)pyridin-1-ium bromide, 4-cyano-1-(2-ethoxy-2-oxoethyl)pyridinium bromide, ethyl 2-(4-cyanopyridin-1-ium-1-yl)acetate bromide
| Molecular Formula | C10H11BrN2O2 |
|---|---|
| Molecular Weight | 270.00 g/mol |
| LogP | -2.58712 |
| Topological Polar Surface Area | 53.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 270.0004 |
| Heavy Atoms | 15 |
| Complexity | 356.6803 |
Chemical Identifiers
| CAS Number | 15591-99-8 |
|---|---|
| SMILES | CCOC(=O)C[N+]1=CC=C(C=C1)C#N.[Br-] |
Product Overview
Ethyl 2-(4-cyanopyridinium-1-yl)acetate bromide (CAS 15591-99-8), with molecular formula C10H11BrN2O2 and molecular weight 270.00 g/mol. IUPAC: ethyl 2-(4-cyanopyridin-1-ium-1-yl)acetate bromide.
Chemical Property Profile of Ethyl 2-(4-cyanopyridinium-1-yl)acetate bromide
Property Insights of Ethyl 2-(4-cyanopyridinium-1-yl)acetate bromide
The XLogP value of -2.58712 indicates that Ethyl 2-(4-cyanopyridinium-1-yl)acetate bromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 53.97 Ų, Ethyl 2-(4-cyanopyridinium-1-yl)acetate bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-(4-cyanopyridinium-1-yl)acetate bromide 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 Ethyl 2-(4-cyanopyridinium-1-yl)acetate bromide?
The CAS number of Ethyl 2-(4-cyanopyridinium-1-yl)acetate bromide is 15591-99-8.
What is the molecular formula of Ethyl 2-(4-cyanopyridinium-1-yl)acetate bromide?
The molecular formula of Ethyl 2-(4-cyanopyridinium-1-yl)acetate bromide is C10H11BrN2O2.
What is the molecular weight of Ethyl 2-(4-cyanopyridinium-1-yl)acetate bromide?
The molecular weight of Ethyl 2-(4-cyanopyridinium-1-yl)acetate bromide is 270.00 g/mol.
Where can I buy Ethyl 2-(4-cyanopyridinium-1-yl)acetate bromide?
You can request a quote for Ethyl 2-(4-cyanopyridinium-1-yl)acetate bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(4-cyanopyridinium-1-yl)acetate bromide?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(4-cyanopyridinium-1-yl)acetate bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.