2,4,6-Trinitrophenol-5-butyl-2-methylpyridine(1:1)
TL;DR: 2,4,6-Trinitrophenol-5-butyl-2-methylpyridine(1:1) (CAS 33963-58-5) is a chemical compound with molecular formula C16H18N4O7 and molecular weight 378.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-butyl-2-methylpyridine;2,4,6-trinitrophenol
Also Known As: 2,4,6-trinitrophenol- 5-butyl-2-methylpyridine(1:1), 5-butyl-2-methylpyridine,2,4,6-trinitrophenol, 2,4,6-trinitrophenol-5-butyl-2-methylpyridine(1:1), 5-butyl-2-methylpyridine; 2,4,6-trinitrophenol, 2,4,6-Trinitrophenol--5-butyl-2-methylpyridine (1/1)
| Molecular Formula | C16H18N4O7 |
|---|---|
| Molecular Weight | 378.12 g/mol |
| LogP | 3.84942 |
| Topological Polar Surface Area | 171.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 378.11755 |
| Heavy Atoms | 27 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 33963-58-5 |
|---|---|
| SMILES | CCCCC1=CN=C(C=C1)C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | GINBHVNCIZFIMD-UHFFFAOYSA-N |
Product Overview
2,4,6-Trinitrophenol-5-butyl-2-methylpyridine(1:1) (CAS 33963-58-5), with molecular formula C16H18N4O7 and molecular weight 378.12 g/mol. IUPAC: 5-butyl-2-methylpyridine;2,4,6-trinitrophenol.
Chemical Property Profile of 2,4,6-Trinitrophenol-5-butyl-2-methylpyridine(1:1)
Property Insights of 2,4,6-Trinitrophenol-5-butyl-2-methylpyridine(1:1)
The XLogP value of 3.84942 indicates that 2,4,6-Trinitrophenol-5-butyl-2-methylpyridine(1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 171.0 Ų indicates high polarity, suggesting 2,4,6-Trinitrophenol-5-butyl-2-methylpyridine(1:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,4,6-Trinitrophenol-5-butyl-2-methylpyridine(1:1) has 1 hydrogen bond donor(s) and 8 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 2,4,6-Trinitrophenol-5-butyl-2-methylpyridine(1:1)?
The CAS number of 2,4,6-Trinitrophenol-5-butyl-2-methylpyridine(1:1) is 33963-58-5.
What is the molecular formula of 2,4,6-Trinitrophenol-5-butyl-2-methylpyridine(1:1)?
The molecular formula of 2,4,6-Trinitrophenol-5-butyl-2-methylpyridine(1:1) is C16H18N4O7.
What is the molecular weight of 2,4,6-Trinitrophenol-5-butyl-2-methylpyridine(1:1)?
The molecular weight of 2,4,6-Trinitrophenol-5-butyl-2-methylpyridine(1:1) is 378.12 g/mol.
Where can I buy 2,4,6-Trinitrophenol-5-butyl-2-methylpyridine(1:1)?
You can request a quote for 2,4,6-Trinitrophenol-5-butyl-2-methylpyridine(1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6-Trinitrophenol-5-butyl-2-methylpyridine(1:1)?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Trinitrophenol-5-butyl-2-methylpyridine(1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.