beta-Nicotyrine dipicrate
TL;DR: beta-Nicotyrine dipicrate (CAS 40326-95-2) is a chemical compound with molecular formula C22H16N8O14 and molecular weight 616.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-methylpyrrol-2-yl)pyridine;bis(2,4,6-trinitrophenol)
Also Known As: beta-Nicotyrine dipicrate, 2,4,6-trinitrophenol- 3-(1-methyl-1h-pyrrol-2-yl)pyridine(2:1), 3-(1-Methyl-1H-pyrrol-2-yl)pyridine, compound with picric acid (1:2), 3-(1-methylpyrrol-2-yl)pyridine,2,4,6-trinitrophenol, 3-(1-methylpyrrol-2-yl)pyridine; 2,4,6-trinitrophenol
| Molecular Formula | C22H16N8O14 |
|---|---|
| Molecular Weight | 616.08 g/mol |
| LogP | 4.3207 |
| Topological Polar Surface Area | 333.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 1 |
| Exact Mass | 616.0786 |
| Heavy Atoms | 44 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 40326-95-2 |
|---|---|
| SMILES | CN1C=CC=C1C2=CN=CC=C2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | HELAHJDQQYICFO-UHFFFAOYSA-N |
Product Overview
beta-Nicotyrine dipicrate (CAS 40326-95-2), with molecular formula C22H16N8O14 and molecular weight 616.08 g/mol. IUPAC: 3-(1-methylpyrrol-2-yl)pyridine;bis(2,4,6-trinitrophenol).
Chemical Property Profile of beta-Nicotyrine dipicrate
Property Insights of beta-Nicotyrine dipicrate
The XLogP value of 4.3207 indicates that beta-Nicotyrine dipicrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 333.0 Ų indicates high polarity, suggesting beta-Nicotyrine dipicrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, beta-Nicotyrine dipicrate has 2 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of beta-Nicotyrine dipicrate?
The CAS number of beta-Nicotyrine dipicrate is 40326-95-2.
What is the molecular formula of beta-Nicotyrine dipicrate?
The molecular formula of beta-Nicotyrine dipicrate is C22H16N8O14.
What is the molecular weight of beta-Nicotyrine dipicrate?
The molecular weight of beta-Nicotyrine dipicrate is 616.08 g/mol.
Where can I buy beta-Nicotyrine dipicrate?
You can request a quote for beta-Nicotyrine dipicrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Nicotyrine dipicrate?
Yes, KEHONG BIO provides custom synthesis services for beta-Nicotyrine dipicrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.