Ethyl 4-((3-cyano-4,6-dimethylpyridin-2-yl)amino)benzoate
TL;DR: Ethyl 4-((3-cyano-4,6-dimethylpyridin-2-yl)amino)benzoate (CAS 636997-44-9) is a chemical compound with molecular formula C17H17N3O2 and molecular weight 295.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]benzoate
Also Known As: BAS 04795726, ethyl 4-((3-cyano-4,6-dimethylpyridin-2-yl)amino)benzoate, ethyl 4-[(3-cyano-4,6-dimethylpyridin-2-yl)amino]benzoate, ethyl 4-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]benzoate, ethyl 4-((3-cyano-4,6-dimethylpyridin-2-yl)amino)-benzoate
| Molecular Formula | C17H17N3O2 |
|---|---|
| Molecular Weight | 295.13 g/mol |
| LogP | 3.49042 |
| Topological Polar Surface Area | 75.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 295.13208 |
| Heavy Atoms | 22 |
| Complexity | 730.8046 |
Chemical Identifiers
| CAS Number | 636997-44-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC2=C(C(=CC(=N2)C)C)C#N |
Product Overview
Ethyl 4-((3-cyano-4,6-dimethylpyridin-2-yl)amino)benzoate (CAS 636997-44-9), with molecular formula C17H17N3O2 and molecular weight 295.13 g/mol. IUPAC: ethyl 4-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]benzoate.
Chemical Property Profile of Ethyl 4-((3-cyano-4,6-dimethylpyridin-2-yl)amino)benzoate
Property Insights of Ethyl 4-((3-cyano-4,6-dimethylpyridin-2-yl)amino)benzoate
The XLogP value of 3.49042 indicates that Ethyl 4-((3-cyano-4,6-dimethylpyridin-2-yl)amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.01 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-((3-cyano-4,6-dimethylpyridin-2-yl)amino)benzoate. Following Lipinski's Rule of Five, Ethyl 4-((3-cyano-4,6-dimethylpyridin-2-yl)amino)benzoate 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 Ethyl 4-((3-cyano-4,6-dimethylpyridin-2-yl)amino)benzoate?
The CAS number of Ethyl 4-((3-cyano-4,6-dimethylpyridin-2-yl)amino)benzoate is 636997-44-9.
What is the molecular formula of Ethyl 4-((3-cyano-4,6-dimethylpyridin-2-yl)amino)benzoate?
The molecular formula of Ethyl 4-((3-cyano-4,6-dimethylpyridin-2-yl)amino)benzoate is C17H17N3O2.
What is the molecular weight of Ethyl 4-((3-cyano-4,6-dimethylpyridin-2-yl)amino)benzoate?
The molecular weight of Ethyl 4-((3-cyano-4,6-dimethylpyridin-2-yl)amino)benzoate is 295.13 g/mol.
Where can I buy Ethyl 4-((3-cyano-4,6-dimethylpyridin-2-yl)amino)benzoate?
You can request a quote for Ethyl 4-((3-cyano-4,6-dimethylpyridin-2-yl)amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-((3-cyano-4,6-dimethylpyridin-2-yl)amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-((3-cyano-4,6-dimethylpyridin-2-yl)amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.