Isonicotinic acid, cyclohexyl ester
TL;DR: Isonicotinic acid, cyclohexyl ester (CAS 163778-04-9) is a chemical compound with molecular formula C12H15NO2 and molecular weight 205.11028 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
cyclohexyl pyridine-4-carboxylate
Also Known As: cyclohexyl pyridine-4-carboxylate, Isonicotinic acid, cyclohexyl ester, 4-Pyridinecarboxylicacidcyclohexylester, 4-pyridinecarboxylic acidcyclohexylester, 4-PYRIDINECARBOXYLIC ACID CYCLOHEXYL ESTER
Technical Specifications
| Molecular Formula | C12H15NO2 |
| Molecular Weight | 205.11028 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 205.11028 Da |
| Heavy Atoms | 15 |
| Complexity | 206.0 |
| SMILES | C1CCC(CC1)OC(=O)C2=CC=NC=C2 |
| InChIKey | UADBNACWGHSLIP-UHFFFAOYSA-N |
Chemical Property Profile of Isonicotinic acid, cyclohexyl ester
Property Insights of Isonicotinic acid, cyclohexyl ester
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isonicotinic acid, cyclohexyl ester. With a topological polar surface area (TPSA) of 39.2 Ų, Isonicotinic acid, cyclohexyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isonicotinic acid, cyclohexyl ester 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 Isonicotinic acid, cyclohexyl ester?
The CAS number of Isonicotinic acid, cyclohexyl ester is 163778-04-9.
What is the molecular formula of Isonicotinic acid, cyclohexyl ester?
The molecular formula of Isonicotinic acid, cyclohexyl ester is C12H15NO2.
What is the molecular weight of Isonicotinic acid, cyclohexyl ester?
The molecular weight of Isonicotinic acid, cyclohexyl ester is 205.11028 g/mol.
Where can I buy Isonicotinic acid, cyclohexyl ester?
You can request a quote for Isonicotinic acid, cyclohexyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isonicotinic acid, cyclohexyl ester?
Yes, CoreyChem provides custom synthesis services for Isonicotinic acid, cyclohexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.