Ethyl 2-bromoisonicotinate
TL;DR: Ethyl 2-bromoisonicotinate (CAS 89978-52-9) is a chemical compound with molecular formula C8H8BrNO2 and molecular weight 228.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-bromopyridine-4-carboxylate
Also Known As: ETHYL 2-BROMOISONICOTINATE, Ethyl 2-bromopyridine-4-carboxylate, null, ETHYL-2-BROMOISONICOTINATE, ETHYL2-BROMOISONICOTINATE
| Molecular Formula | C8H8BrNO2 |
|---|---|
| Molecular Weight | 228.97 g/mol |
| LogP | 2.0208 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.97385 |
| Heavy Atoms | 12 |
| Complexity | 288.14127 |
Chemical Identifiers
| CAS Number | 89978-52-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=NC=C1)Br |
Product Overview
Ethyl 2-bromoisonicotinate (CAS 89978-52-9), with molecular formula C8H8BrNO2 and molecular weight 228.97 g/mol. IUPAC: ethyl 2-bromopyridine-4-carboxylate.
Chemical Property Profile of Ethyl 2-bromoisonicotinate
Property Insights of Ethyl 2-bromoisonicotinate
The XLogP value of 2.0208 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-bromoisonicotinate. With a topological polar surface area (TPSA) of 39.19 Ų, Ethyl 2-bromoisonicotinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-bromoisonicotinate 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-bromoisonicotinate?
The CAS number of Ethyl 2-bromoisonicotinate is 89978-52-9.
What is the molecular formula of Ethyl 2-bromoisonicotinate?
The molecular formula of Ethyl 2-bromoisonicotinate is C8H8BrNO2.
What is the molecular weight of Ethyl 2-bromoisonicotinate?
The molecular weight of Ethyl 2-bromoisonicotinate is 228.97 g/mol.
Where can I buy Ethyl 2-bromoisonicotinate?
You can request a quote for Ethyl 2-bromoisonicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-bromoisonicotinate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-bromoisonicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.