Nicomol
TL;DR: Nicomol (CAS 27959-26-8) is a chemical compound with molecular formula C34H32N4O9 and molecular weight 640.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-hydroxy-1,3,3-tris(pyridine-3-carbonyloxymethyl)cyclohexyl]methyl pyridine-3-carboxylate
Also Known As: Nicomol, Cholexamin, Cholexamine, Nicomolol, Nicomolum
| Molecular Formula | C34H32N4O9 |
|---|---|
| Molecular Weight | 640.22 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 177.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 16 |
| Exact Mass | 640.2169 |
| Heavy Atoms | 47 |
| Complexity | 926.0 |
Chemical Identifiers
| CAS Number | 27959-26-8 |
|---|---|
| SMILES | C1CC(C(C(C1)(COC(=O)C2=CN=CC=C2)COC(=O)C3=CN=CC=C3)O)(COC(=O)C4=CN=CC=C4)COC(=O)C5=CN=CC=C5 |
| InChIKey | VRAHPESAMYMDQI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Nicomol (CAS 27959-26-8), with molecular formula C34H32N4O9 and molecular weight 640.22 g/mol. IUPAC: [2-hydroxy-1,3,3-tris(pyridine-3-carbonyloxymethyl)cyclohexyl]methyl pyridine-3-carboxylate.
Chemical Property Profile of Nicomol
Property Insights of Nicomol
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nicomol. The TPSA of 177.0 Ų indicates high polarity, suggesting Nicomol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Nicomol has 1 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Nicomol?
The CAS number of Nicomol is 27959-26-8.
What is the molecular formula of Nicomol?
The molecular formula of Nicomol is C34H32N4O9.
What is the molecular weight of Nicomol?
The molecular weight of Nicomol is 640.22 g/mol.
Where can I buy Nicomol?
You can request a quote for Nicomol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nicomol?
Yes, KEHONG BIO provides custom synthesis services for Nicomol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.