Nicoclonate HCl
TL;DR: Nicoclonate HCl (CAS 10400-20-1) is a chemical compound with molecular formula C16H17Cl2NO2 and molecular weight 325.06 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;hydrochloride
Also Known As: Nicoclonate HCl, Nicoclonate hydrochloride, Lipidium hydrochloride, S 486 hydrochloride, Nicoclonate (hydrochloride)
| Molecular Formula | C16H17Cl2NO2 |
|---|---|
| Molecular Weight | 325.06 g/mol |
| LogP | 4.7109 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 325.06363 |
| Heavy Atoms | 21 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 10400-20-1 |
|---|---|
| SMILES | CC(C)C(C1=CC=C(C=C1)Cl)OC(=O)C2=CN=CC=C2.Cl |
| InChIKey | WFOSBBBLIAVCRP-UHFFFAOYSA-N |
Product Overview
Nicoclonate HCl (CAS 10400-20-1), with molecular formula C16H17Cl2NO2 and molecular weight 325.06 g/mol. IUPAC: [1-(4-chlorophenyl)-2-methylpropyl] pyridine-3-carboxylate;hydrochloride.
Chemical Property Profile of Nicoclonate HCl
Property Insights of Nicoclonate HCl
The XLogP value of 4.7109 indicates that Nicoclonate HCl 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 HCl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nicoclonate HCl has 1 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 HCl?
The CAS number of Nicoclonate HCl is 10400-20-1.
What is the molecular formula of Nicoclonate HCl?
The molecular formula of Nicoclonate HCl is C16H17Cl2NO2.
What is the molecular weight of Nicoclonate HCl?
The molecular weight of Nicoclonate HCl is 325.06 g/mol.
Where can I buy Nicoclonate HCl?
You can request a quote for Nicoclonate HCl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nicoclonate HCl?
Yes, KEHONG BIO provides custom synthesis services for Nicoclonate HCl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.