Methyl 5-cyano-6-isopropoxy-2-methylnicotinate
TL;DR: Methyl 5-cyano-6-isopropoxy-2-methylnicotinate (CAS 860649-53-2) is a chemical compound with molecular formula C12H14N2O3 and molecular weight 234.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-cyano-2-methyl-6-propan-2-yloxypyridine-3-carboxylate
Also Known As: methyl 5-cyano-6-isopropoxy-2-methylnicotinate, 11K-314S, methyl 5-cyano-2-methyl-6-propan-2-yloxypyridine-3-carboxylate, methyl 5-cyano-2-methyl-6-(propan-2-yloxy)pyridine-3-carboxylate, methyl5-cyano-2-methyl-6-(propan-2-yloxy)pyridine-3-carboxylate
| Molecular Formula | C12H14N2O3 |
|---|---|
| Molecular Weight | 234.10 g/mol |
| LogP | 1.8355 |
| Topological Polar Surface Area | 72.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.10045 |
| Heavy Atoms | 17 |
| Complexity | 475.37445 |
Chemical Identifiers
| CAS Number | 860649-53-2 |
|---|---|
| SMILES | CC1=C(C=C(C(=N1)OC(C)C)C#N)C(=O)OC |
Product Overview
Methyl 5-cyano-6-isopropoxy-2-methylnicotinate (CAS 860649-53-2), with molecular formula C12H14N2O3 and molecular weight 234.10 g/mol. IUPAC: methyl 5-cyano-2-methyl-6-propan-2-yloxypyridine-3-carboxylate.
Chemical Property Profile of Methyl 5-cyano-6-isopropoxy-2-methylnicotinate
Property Insights of Methyl 5-cyano-6-isopropoxy-2-methylnicotinate
The XLogP value of 1.8355 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-cyano-6-isopropoxy-2-methylnicotinate. The TPSA of 72.21 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 5-cyano-6-isopropoxy-2-methylnicotinate. Following Lipinski's Rule of Five, Methyl 5-cyano-6-isopropoxy-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-isopropoxy-2-methylnicotinate?
The CAS number of Methyl 5-cyano-6-isopropoxy-2-methylnicotinate is 860649-53-2.
What is the molecular formula of Methyl 5-cyano-6-isopropoxy-2-methylnicotinate?
The molecular formula of Methyl 5-cyano-6-isopropoxy-2-methylnicotinate is C12H14N2O3.
What is the molecular weight of Methyl 5-cyano-6-isopropoxy-2-methylnicotinate?
The molecular weight of Methyl 5-cyano-6-isopropoxy-2-methylnicotinate is 234.10 g/mol.
Where can I buy Methyl 5-cyano-6-isopropoxy-2-methylnicotinate?
You can request a quote for Methyl 5-cyano-6-isopropoxy-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-isopropoxy-2-methylnicotinate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-cyano-6-isopropoxy-2-methylnicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.