ethyl 5-bromo-4-cyano-1-methyl-4H-pyridine-3-carboxylate
TL;DR: ethyl 5-bromo-4-cyano-1-methyl-4H-pyridine-3-carboxylate (CAS 64824-52-8) 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 5-bromo-4-cyano-1-methyl-4H-pyridine-3-carboxylate
Also Known As: ethyl 5-bromo-4-cyano-1-methyl-4H-pyridine-3-carboxylate, ethyl 5-bromo-4-cyano-1-methyl-1,4-dihydropyridine-3-carboxylate, ethyl 5-bromo-4-cyano-1-methyl-1,4-dihydro-3-pyridinecarboxylate, 3-Pyridinecarboxylicacid, 5-bromo-4-cyano-1,4-dihydro-1-methyl-, ethyl ester, 5-bromo-4-cyano-1-methyl-1,4-dihydro-pyridine-3-carboxylic acid ethyl ester
| Molecular Formula | C10H11BrN2O2 |
|---|---|
| Molecular Weight | 270.00 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 53.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 270.0004 |
| Heavy Atoms | 15 |
| Complexity | 378.0 |
Chemical Identifiers
| CAS Number | 64824-52-8 |
|---|---|
| SMILES | CCOC(=O)C1=CN(C=C(C1C#N)Br)C |
| InChIKey | PWARVYQJRUOAOY-UHFFFAOYSA-N |
Product Overview
ethyl 5-bromo-4-cyano-1-methyl-4H-pyridine-3-carboxylate (CAS 64824-52-8), with molecular formula C10H11BrN2O2 and molecular weight 270.00 g/mol. IUPAC: ethyl 5-bromo-4-cyano-1-methyl-4H-pyridine-3-carboxylate.
Chemical Property Profile of ethyl 5-bromo-4-cyano-1-methyl-4H-pyridine-3-carboxylate
Property Insights of ethyl 5-bromo-4-cyano-1-methyl-4H-pyridine-3-carboxylate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 5-bromo-4-cyano-1-methyl-4H-pyridine-3-carboxylate. With a topological polar surface area (TPSA) of 53.3 Ų, ethyl 5-bromo-4-cyano-1-methyl-4H-pyridine-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 5-bromo-4-cyano-1-methyl-4H-pyridine-3-carboxylate 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-bromo-4-cyano-1-methyl-4H-pyridine-3-carboxylate?
The CAS number of ethyl 5-bromo-4-cyano-1-methyl-4H-pyridine-3-carboxylate is 64824-52-8.
What is the molecular formula of ethyl 5-bromo-4-cyano-1-methyl-4H-pyridine-3-carboxylate?
The molecular formula of ethyl 5-bromo-4-cyano-1-methyl-4H-pyridine-3-carboxylate is C10H11BrN2O2.
What is the molecular weight of ethyl 5-bromo-4-cyano-1-methyl-4H-pyridine-3-carboxylate?
The molecular weight of ethyl 5-bromo-4-cyano-1-methyl-4H-pyridine-3-carboxylate is 270.00 g/mol.
Where can I buy ethyl 5-bromo-4-cyano-1-methyl-4H-pyridine-3-carboxylate?
You can request a quote for ethyl 5-bromo-4-cyano-1-methyl-4H-pyridine-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 5-bromo-4-cyano-1-methyl-4H-pyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-bromo-4-cyano-1-methyl-4H-pyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.