Ethyl 2,6-diphenylisonicotinate
TL;DR: Ethyl 2,6-diphenylisonicotinate (CAS 102078-89-7) is a chemical compound with molecular formula C20H17NO2 and molecular weight 303.12592 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2,6-diphenylpyridine-4-carboxylate
Also Known As: Ethyl 2,6-diphenylisonicotinate, Ethyl-2,6-diphenyl-isonicotinate, Ethyl 2,6-diphenylpyridine-4-carboxylate, 2,6-Diphenylisonicotinic acid ethyl ester, J3.033.533C
Technical Specifications
| Molecular Formula | C20H17NO2 |
| Molecular Weight | 303.12592 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 303.12592 Da |
| Heavy Atoms | 23 |
| Complexity | 346.0 |
| SMILES | CCOC(=O)C1=CC(=NC(=C1)C2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | KKLDWEZQDULUDH-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 2,6-diphenylisonicotinate
Property Insights of Ethyl 2,6-diphenylisonicotinate
The XLogP value of 4.4 indicates that Ethyl 2,6-diphenylisonicotinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.2 Ų, Ethyl 2,6-diphenylisonicotinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2,6-diphenylisonicotinate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethyl 2,6-diphenylisonicotinate?
The CAS number of Ethyl 2,6-diphenylisonicotinate is 102078-89-7.
What is the molecular formula of Ethyl 2,6-diphenylisonicotinate?
The molecular formula of Ethyl 2,6-diphenylisonicotinate is C20H17NO2.
What is the molecular weight of Ethyl 2,6-diphenylisonicotinate?
The molecular weight of Ethyl 2,6-diphenylisonicotinate is 303.12592 g/mol.
Where can I buy Ethyl 2,6-diphenylisonicotinate?
You can request a quote for Ethyl 2,6-diphenylisonicotinate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 2,6-diphenylisonicotinate?
Yes, CoreyChem provides custom synthesis services for Ethyl 2,6-diphenylisonicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.