2,4,6-Trinitrophenol-4-benzylpyridine(1:1)
TL;DR: 2,4,6-Trinitrophenol-4-benzylpyridine(1:1) (CAS 6954-70-7) is a chemical compound with molecular formula C18H14N4O7 and molecular weight 398.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzylpyridine;2,4,6-trinitrophenol
Also Known As: 4-benzylpyridine,2,4,6-trinitrophenol, 2,4,6-trinitrophenol- 4-benzylpyridine(1:1), 4-benzylpyridine; 2,4,6-trinitrophenol, 2,4,6-trinitrophenol-4-benzylpyridine(1:1), 2,4,6-Trinitrophenol--4-benzylpyridine (1/1)
| Molecular Formula | C18H14N4O7 |
|---|---|
| Molecular Weight | 398.09 g/mol |
| LogP | 3.7892 |
| Topological Polar Surface Area | 171.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 398.08624 |
| Heavy Atoms | 29 |
| Complexity | 424.0 |
Chemical Identifiers
| CAS Number | 6954-70-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=CC=NC=C2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | BMRBVFZVRJYTPM-UHFFFAOYSA-N |
Product Overview
2,4,6-Trinitrophenol-4-benzylpyridine(1:1) (CAS 6954-70-7), with molecular formula C18H14N4O7 and molecular weight 398.09 g/mol. IUPAC: 4-benzylpyridine;2,4,6-trinitrophenol.
Chemical Property Profile of 2,4,6-Trinitrophenol-4-benzylpyridine(1:1)
Property Insights of 2,4,6-Trinitrophenol-4-benzylpyridine(1:1)
The XLogP value of 3.7892 indicates that 2,4,6-Trinitrophenol-4-benzylpyridine(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-4-benzylpyridine(1:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,4,6-Trinitrophenol-4-benzylpyridine(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-4-benzylpyridine(1:1)?
The CAS number of 2,4,6-Trinitrophenol-4-benzylpyridine(1:1) is 6954-70-7.
What is the molecular formula of 2,4,6-Trinitrophenol-4-benzylpyridine(1:1)?
The molecular formula of 2,4,6-Trinitrophenol-4-benzylpyridine(1:1) is C18H14N4O7.
What is the molecular weight of 2,4,6-Trinitrophenol-4-benzylpyridine(1:1)?
The molecular weight of 2,4,6-Trinitrophenol-4-benzylpyridine(1:1) is 398.09 g/mol.
Where can I buy 2,4,6-Trinitrophenol-4-benzylpyridine(1:1)?
You can request a quote for 2,4,6-Trinitrophenol-4-benzylpyridine(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-4-benzylpyridine(1:1)?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Trinitrophenol-4-benzylpyridine(1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.