Methyl 5-cyano-6-(diethylamino)-2-methylnicotinate
TL;DR: Methyl 5-cyano-6-(diethylamino)-2-methylnicotinate (CAS 306979-82-8) is a chemical compound with molecular formula C13H17N3O2 and molecular weight 247.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-cyano-6-(diethylamino)-2-methylpyridine-3-carboxylate
Also Known As: methyl 5-cyano-6-(diethylamino)-2-methylnicotinate, 12K-303S, methyl 5-cyano-6-(diethylamino)-2-methylpyridine-3-carboxylate, Methyl 5-cyano-6-diethylamino-2-methyl-pyridine-3-carboxylate
| Molecular Formula | C13H17N3O2 |
|---|---|
| Molecular Weight | 247.13 g/mol |
| LogP | 1.8945 |
| Topological Polar Surface Area | 66.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.13208 |
| Heavy Atoms | 18 |
| Complexity | 487.74512 |
Chemical Identifiers
| CAS Number | 306979-82-8 |
|---|---|
| SMILES | CCN(CC)C1=NC(=C(C=C1C#N)C(=O)OC)C |
Product Overview
Methyl 5-cyano-6-(diethylamino)-2-methylnicotinate (CAS 306979-82-8), with molecular formula C13H17N3O2 and molecular weight 247.13 g/mol. IUPAC: methyl 5-cyano-6-(diethylamino)-2-methylpyridine-3-carboxylate.
Chemical Property Profile of Methyl 5-cyano-6-(diethylamino)-2-methylnicotinate
Property Insights of Methyl 5-cyano-6-(diethylamino)-2-methylnicotinate
The XLogP value of 1.8945 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-cyano-6-(diethylamino)-2-methylnicotinate. The TPSA of 66.22 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 5-cyano-6-(diethylamino)-2-methylnicotinate. Following Lipinski's Rule of Five, Methyl 5-cyano-6-(diethylamino)-2-methylnicotinate has 0 hydrogen bond donor(s) and 5 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 Methyl 5-cyano-6-(diethylamino)-2-methylnicotinate?
The CAS number of Methyl 5-cyano-6-(diethylamino)-2-methylnicotinate is 306979-82-8.
What is the molecular formula of Methyl 5-cyano-6-(diethylamino)-2-methylnicotinate?
The molecular formula of Methyl 5-cyano-6-(diethylamino)-2-methylnicotinate is C13H17N3O2.
What is the molecular weight of Methyl 5-cyano-6-(diethylamino)-2-methylnicotinate?
The molecular weight of Methyl 5-cyano-6-(diethylamino)-2-methylnicotinate is 247.13 g/mol.
Where can I buy Methyl 5-cyano-6-(diethylamino)-2-methylnicotinate?
You can request a quote for Methyl 5-cyano-6-(diethylamino)-2-methylnicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-cyano-6-(diethylamino)-2-methylnicotinate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-cyano-6-(diethylamino)-2-methylnicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.