Nicotinic acid, 5-fluoro-, cyclohexyl ester
TL;DR: Nicotinic acid, 5-fluoro-, cyclohexyl ester (CAS 5454-15-9) is a chemical compound with molecular formula C12H14FNO2 and molecular weight 223.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclohexyl 5-fluoropyridine-3-carboxylate
Also Known As: Cyclohexyl 5-fluoronicotinate, Cyclohexyl 5-fluoro-3-pyridinecarboxylate, cyclohexyl 5-fluoropyridine-3-carboxylate, Nicotinic acid, 5-fluoro-, cyclohexyl ester, Nicotinic acid, 5-fluoro-, cyclohexyl ester (8CI)
| Molecular Formula | C12H14FNO2 |
|---|---|
| Molecular Weight | 223.10 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 223.10086 |
| Heavy Atoms | 16 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 5454-15-9 |
|---|---|
| SMILES | C1CCC(CC1)OC(=O)C2=CC(=CN=C2)F |
| InChIKey | KCYOUPHUBLMKGO-UHFFFAOYSA-N |
Product Overview
Nicotinic acid, 5-fluoro-, cyclohexyl ester (CAS 5454-15-9), with molecular formula C12H14FNO2 and molecular weight 223.10 g/mol. IUPAC: cyclohexyl 5-fluoropyridine-3-carboxylate.
Chemical Property Profile of Nicotinic acid, 5-fluoro-, cyclohexyl ester
Property Insights of Nicotinic acid, 5-fluoro-, cyclohexyl ester
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nicotinic acid, 5-fluoro-, cyclohexyl ester. With a topological polar surface area (TPSA) of 39.2 Ų, Nicotinic acid, 5-fluoro-, cyclohexyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nicotinic acid, 5-fluoro-, cyclohexyl ester has 0 hydrogen bond donor(s) and 4 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, 5-fluoro-, cyclohexyl ester?
The CAS number of Nicotinic acid, 5-fluoro-, cyclohexyl ester is 5454-15-9.
What is the molecular formula of Nicotinic acid, 5-fluoro-, cyclohexyl ester?
The molecular formula of Nicotinic acid, 5-fluoro-, cyclohexyl ester is C12H14FNO2.
What is the molecular weight of Nicotinic acid, 5-fluoro-, cyclohexyl ester?
The molecular weight of Nicotinic acid, 5-fluoro-, cyclohexyl ester is 223.10 g/mol.
Where can I buy Nicotinic acid, 5-fluoro-, cyclohexyl ester?
You can request a quote for Nicotinic acid, 5-fluoro-, 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, 5-fluoro-, cyclohexyl ester?
Yes, KEHONG BIO provides custom synthesis services for Nicotinic acid, 5-fluoro-, cyclohexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.