Methyl 6-(butylamino)-5-cyano-2-methylnicotinate
TL;DR: Methyl 6-(butylamino)-5-cyano-2-methylnicotinate (CAS 306979-83-9) 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 6-(butylamino)-5-cyano-2-methylpyridine-3-carboxylate
Also Known As: methyl 6-(butylamino)-5-cyano-2-methylnicotinate, methyl 6-(butylamino)-5-cyano-2-methylpyridine-3-carboxylate, 12K-304S, methyl 6-(butylamino)-5-cyano-2-methyl-pyridine-3-carboxylate, Methyl 6-butylamino-5-cyano-2-methyl-pyridine-3-carboxylate
| Molecular Formula | C13H17N3O2 |
|---|---|
| Molecular Weight | 247.13 g/mol |
| LogP | 2.2603 |
| Topological Polar Surface Area | 75.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 247.13208 |
| Heavy Atoms | 18 |
| Complexity | 477.86008 |
Chemical Identifiers
| CAS Number | 306979-83-9 |
|---|---|
| SMILES | CCCCNC1=NC(=C(C=C1C#N)C(=O)OC)C |
Product Overview
Methyl 6-(butylamino)-5-cyano-2-methylnicotinate (CAS 306979-83-9), with molecular formula C13H17N3O2 and molecular weight 247.13 g/mol. IUPAC: methyl 6-(butylamino)-5-cyano-2-methylpyridine-3-carboxylate.
Chemical Property Profile of Methyl 6-(butylamino)-5-cyano-2-methylnicotinate
Property Insights of Methyl 6-(butylamino)-5-cyano-2-methylnicotinate
The XLogP value of 2.2603 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 6-(butylamino)-5-cyano-2-methylnicotinate. The TPSA of 75.01 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 6-(butylamino)-5-cyano-2-methylnicotinate. Following Lipinski's Rule of Five, Methyl 6-(butylamino)-5-cyano-2-methylnicotinate has 1 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 6-(butylamino)-5-cyano-2-methylnicotinate?
The CAS number of Methyl 6-(butylamino)-5-cyano-2-methylnicotinate is 306979-83-9.
What is the molecular formula of Methyl 6-(butylamino)-5-cyano-2-methylnicotinate?
The molecular formula of Methyl 6-(butylamino)-5-cyano-2-methylnicotinate is C13H17N3O2.
What is the molecular weight of Methyl 6-(butylamino)-5-cyano-2-methylnicotinate?
The molecular weight of Methyl 6-(butylamino)-5-cyano-2-methylnicotinate is 247.13 g/mol.
Where can I buy Methyl 6-(butylamino)-5-cyano-2-methylnicotinate?
You can request a quote for Methyl 6-(butylamino)-5-cyano-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 6-(butylamino)-5-cyano-2-methylnicotinate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 6-(butylamino)-5-cyano-2-methylnicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.