Nicotinic acid, cyclohexyl ester
TL;DR: Nicotinic acid, cyclohexyl ester (CAS 65321-38-2) is a chemical compound with molecular formula C12H15NO2 and molecular weight 205.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclohexyl pyridine-3-carboxylate
Also Known As: cyclohexyl nicotinate, cyclohexyl pyridine-3-carboxylate, Nicotinic acid, cyclohexyl ester, Nicotinic acid cyclohexyl ester, N,N-diethyl-cyclohexanecarboxamide
| Molecular Formula | C12H15NO2 |
|---|---|
| Molecular Weight | 205.11 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 205.11028 |
| Heavy Atoms | 15 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 65321-38-2 |
|---|---|
| SMILES | C1CCC(CC1)OC(=O)C2=CN=CC=C2 |
| InChIKey | DMOCRQCRHPKMRK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Nicotinic acid, cyclohexyl ester (CAS 65321-38-2), with molecular formula C12H15NO2 and molecular weight 205.11 g/mol. IUPAC: cyclohexyl pyridine-3-carboxylate.
Chemical Property Profile of Nicotinic acid, cyclohexyl ester
Property Insights of Nicotinic acid, cyclohexyl ester
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nicotinic acid, cyclohexyl ester. With a topological polar surface area (TPSA) of 39.2 Ų, Nicotinic acid, cyclohexyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nicotinic 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
Frequently Asked Questions
What is the CAS number of Nicotinic acid, cyclohexyl ester?
The CAS number of Nicotinic acid, cyclohexyl ester is 65321-38-2.
What is the molecular formula of Nicotinic acid, cyclohexyl ester?
The molecular formula of Nicotinic acid, cyclohexyl ester is C12H15NO2.
What is the molecular weight of Nicotinic acid, cyclohexyl ester?
The molecular weight of Nicotinic acid, cyclohexyl ester is 205.11 g/mol.
Where can I buy Nicotinic acid, cyclohexyl ester?
You can request a quote for Nicotinic acid, cyclohexyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nicotinic acid, cyclohexyl ester?
Yes, KEHONG BIO provides custom synthesis services for Nicotinic acid, cyclohexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.