![methyl [3-cyano-4-(dimethylamino)-2-oxopyridin-1(2H)-yl]acetate structure](/static/products/499/499132-76-2.png)
methyl [3-cyano-4-(dimethylamino)-2-oxopyridin-1(2H)-yl]acetate
TL;DR: methyl [3-cyano-4-(dimethylamino)-2-oxopyridin-1(2H)-yl]acetate (CAS 499132-76-2) is a chemical compound with molecular formula C11H13N3O3 and molecular weight 235.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[3-cyano-4-(dimethylamino)-2-oxo-1-pyridinyl]acetate
Also Known As: methyl 2-[3-cyano-4-(dimethylamino)-2-oxopyridin-1-yl]acetate, methyl [3-cyano-4-(dimethylamino)-2-oxopyridin-1(2H)-yl]acetate, methyl 2-(3-cyano-4-(dimethylamino)-2-oxopyridin-1(2H)-yl)acetate, REGID_for_CID_664110
| Molecular Formula | C11H13N3O3 |
|---|---|
| Molecular Weight | 235.10 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 73.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 235.09569 |
| Heavy Atoms | 17 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 499132-76-2 |
|---|---|
| SMILES | CN(C)C1=C(C(=O)N(C=C1)CC(=O)OC)C#N |
| InChIKey | COSDPQIVGBHNIK-UHFFFAOYSA-N |
Product Overview
methyl [3-cyano-4-(dimethylamino)-2-oxopyridin-1(2H)-yl]acetate (CAS 499132-76-2), with molecular formula C11H13N3O3 and molecular weight 235.10 g/mol. IUPAC: methyl 2-[3-cyano-4-(dimethylamino)-2-oxo-1-pyridinyl]acetate.
Chemical Property Profile of methyl [3-cyano-4-(dimethylamino)-2-oxopyridin-1(2H)-yl]acetate
Property Insights of methyl [3-cyano-4-(dimethylamino)-2-oxopyridin-1(2H)-yl]acetate
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl [3-cyano-4-(dimethylamino)-2-oxopyridin-1(2H)-yl]acetate. The TPSA of 73.6 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl [3-cyano-4-(dimethylamino)-2-oxopyridin-1(2H)-yl]acetate. Following Lipinski's Rule of Five, methyl [3-cyano-4-(dimethylamino)-2-oxopyridin-1(2H)-yl]acetate 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 [3-cyano-4-(dimethylamino)-2-oxopyridin-1(2H)-yl]acetate?
The CAS number of methyl [3-cyano-4-(dimethylamino)-2-oxopyridin-1(2H)-yl]acetate is 499132-76-2.
What is the molecular formula of methyl [3-cyano-4-(dimethylamino)-2-oxopyridin-1(2H)-yl]acetate?
The molecular formula of methyl [3-cyano-4-(dimethylamino)-2-oxopyridin-1(2H)-yl]acetate is C11H13N3O3.
What is the molecular weight of methyl [3-cyano-4-(dimethylamino)-2-oxopyridin-1(2H)-yl]acetate?
The molecular weight of methyl [3-cyano-4-(dimethylamino)-2-oxopyridin-1(2H)-yl]acetate is 235.10 g/mol.
Where can I buy methyl [3-cyano-4-(dimethylamino)-2-oxopyridin-1(2H)-yl]acetate?
You can request a quote for methyl [3-cyano-4-(dimethylamino)-2-oxopyridin-1(2H)-yl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl [3-cyano-4-(dimethylamino)-2-oxopyridin-1(2H)-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl [3-cyano-4-(dimethylamino)-2-oxopyridin-1(2H)-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.