![[(5S)-3,3,5-trimethylcyclohexyl] pyridine-3-carboxylate structure](/static/products/5344/53449-58-4.webp)
[(5S)-3,3,5-trimethylcyclohexyl] pyridine-3-carboxylate
TL;DR: [(5S)-3,3,5-trimethylcyclohexyl] pyridine-3-carboxylate (CAS 53449-58-4) is a chemical compound with molecular formula C15H21NO2 and molecular weight 247.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(5S)-3,3,5-trimethylcyclohexyl] pyridine-3-carboxylate
Also Known As: Ciclonicate, Cortofludan, Cyclonicate, Vasargil, Elastan
| Molecular Formula | C15H21NO2 |
|---|---|
| Molecular Weight | 247.16 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.15723 |
| Heavy Atoms | 18 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 53449-58-4 |
|---|---|
| SMILES | C[C@@H]1CC(CC(C1)(C)C)OC(=O)C2=CN=CC=C2 |
| InChIKey | GQSGZTBDVNUIQS-JTDNENJMSA-N |
Product Overview
[(5S)-3,3,5-trimethylcyclohexyl] pyridine-3-carboxylate (CAS 53449-58-4), with molecular formula C15H21NO2 and molecular weight 247.16 g/mol. IUPAC: [(5S)-3,3,5-trimethylcyclohexyl] pyridine-3-carboxylate.
Chemical Property Profile of [(5S)-3,3,5-trimethylcyclohexyl] pyridine-3-carboxylate
Property Insights of [(5S)-3,3,5-trimethylcyclohexyl] pyridine-3-carboxylate
The XLogP value of 3.8 indicates that [(5S)-3,3,5-trimethylcyclohexyl] pyridine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.2 Ų, [(5S)-3,3,5-trimethylcyclohexyl] pyridine-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [(5S)-3,3,5-trimethylcyclohexyl] pyridine-3-carboxylate 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 [(5S)-3,3,5-trimethylcyclohexyl] pyridine-3-carboxylate?
The CAS number of [(5S)-3,3,5-trimethylcyclohexyl] pyridine-3-carboxylate is 53449-58-4.
What is the molecular formula of [(5S)-3,3,5-trimethylcyclohexyl] pyridine-3-carboxylate?
The molecular formula of [(5S)-3,3,5-trimethylcyclohexyl] pyridine-3-carboxylate is C15H21NO2.
What is the molecular weight of [(5S)-3,3,5-trimethylcyclohexyl] pyridine-3-carboxylate?
The molecular weight of [(5S)-3,3,5-trimethylcyclohexyl] pyridine-3-carboxylate is 247.16 g/mol.
Where can I buy [(5S)-3,3,5-trimethylcyclohexyl] pyridine-3-carboxylate?
You can request a quote for [(5S)-3,3,5-trimethylcyclohexyl] pyridine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(5S)-3,3,5-trimethylcyclohexyl] pyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for [(5S)-3,3,5-trimethylcyclohexyl] pyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.