Niadenate
TL;DR: Niadenate (CAS 82601-22-7) is a chemical compound with molecular formula C26H36N2O4S2 and molecular weight 504.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[10-[2-(pyridine-3-carbonyloxy)ethylsulfanyl]decylsulfanyl]ethyl pyridine-3-carboxylate
Also Known As: Niadenate, 3-Pyridinecarboxylic acid, 1,10-decanediylbis(thio-2,1-ethanediyl) ester, 2-[10-[2-(pyridine-3-carbonyloxy)ethylsulfanyl]decylsulfanyl]ethyl pyridine-3-carboxylate, [(Decane-1,10-diyl)bis(sulfanediyl)ethane-2,1-diyl] dipyridine-3-carboxylate, RefChem:927702
| Molecular Formula | C26H36N2O4S2 |
|---|---|
| Molecular Weight | 504.21 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 21 |
| Exact Mass | 504.21164 |
| Heavy Atoms | 34 |
| Complexity | 493.0 |
Chemical Identifiers
| CAS Number | 82601-22-7 |
|---|---|
| SMILES | C1=CC(=CN=C1)C(=O)OCCSCCCCCCCCCCSCCOC(=O)C2=CN=CC=C2 |
| InChIKey | HILPCWYKPQNXHU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Niadenate (CAS 82601-22-7), with molecular formula C26H36N2O4S2 and molecular weight 504.21 g/mol. IUPAC: 2-[10-[2-(pyridine-3-carbonyloxy)ethylsulfanyl]decylsulfanyl]ethyl pyridine-3-carboxylate.
Chemical Property Profile of Niadenate
Property Insights of Niadenate
The XLogP value of 6.1 indicates that Niadenate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Niadenate. Following Lipinski's Rule of Five, Niadenate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Niadenate?
The CAS number of Niadenate is 82601-22-7.
What is the molecular formula of Niadenate?
The molecular formula of Niadenate is C26H36N2O4S2.
What is the molecular weight of Niadenate?
The molecular weight of Niadenate is 504.21 g/mol.
Where can I buy Niadenate?
You can request a quote for Niadenate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Niadenate?
Yes, KEHONG BIO provides custom synthesis services for Niadenate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.