Nicoclonate
TL;DR: Nicoclonate (CAS 10571-59-2) is a chemical compound with molecular formula C16H16ClNO2 and molecular weight 289.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(4-chlorophenyl)-2-methylpropyl] pyridine-3-carboxylate
Also Known As: Nicoclonate, Nicoclonol, Nicoclonato, Nicoclonatum, Nicoclonate (stn)
| Molecular Formula | C16H16ClNO2 |
|---|---|
| Molecular Weight | 289.09 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 289.08694 |
| Heavy Atoms | 20 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 10571-59-2 |
|---|---|
| SMILES | CC(C)C(C1=CC=C(C=C1)Cl)OC(=O)C2=CN=CC=C2 |
| InChIKey | XPPXHQUWVYMTDM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Nicoclonate (CAS 10571-59-2), with molecular formula C16H16ClNO2 and molecular weight 289.09 g/mol. IUPAC: [1-(4-chlorophenyl)-2-methylpropyl] pyridine-3-carboxylate.
Chemical Property Profile of Nicoclonate
Property Insights of Nicoclonate
The XLogP value of 4.2 indicates that Nicoclonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.2 Ų, Nicoclonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nicoclonate 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 Nicoclonate?
The CAS number of Nicoclonate is 10571-59-2.
What is the molecular formula of Nicoclonate?
The molecular formula of Nicoclonate is C16H16ClNO2.
What is the molecular weight of Nicoclonate?
The molecular weight of Nicoclonate is 289.09 g/mol.
Where can I buy Nicoclonate?
You can request a quote for Nicoclonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nicoclonate?
Yes, KEHONG BIO provides custom synthesis services for Nicoclonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.