2,4,6-Trinitrophenol--1-methylnaphthalene (1/1)
TL;DR: 2,4,6-Trinitrophenol--1-methylnaphthalene (1/1) (CAS 5160-54-3) is a chemical compound with molecular formula C17H13N3O7 and molecular weight 371.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methylnaphthalene;2,4,6-trinitrophenol
Also Known As: 1-methylnaphthalene; 2,4,6-trinitrophenol, 2,4,6-Trinitrophenol--1-methylnaphthalene (1/1)
| Molecular Formula | C17H13N3O7 |
|---|---|
| Molecular Weight | 371.08 g/mol |
| LogP | 4.26502 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 371.07535 |
| Heavy Atoms | 27 |
| Complexity | 420.0 |
Chemical Identifiers
| CAS Number | 5160-54-3 |
|---|---|
| SMILES | CC1=CC=CC2=CC=CC=C12.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | MFPFNKSOGKYENI-UHFFFAOYSA-N |
Product Overview
2,4,6-Trinitrophenol--1-methylnaphthalene (1/1) (CAS 5160-54-3), with molecular formula C17H13N3O7 and molecular weight 371.08 g/mol. IUPAC: 1-methylnaphthalene;2,4,6-trinitrophenol.
Chemical Property Profile of 2,4,6-Trinitrophenol--1-methylnaphthalene (1/1)
Property Insights of 2,4,6-Trinitrophenol--1-methylnaphthalene (1/1)
The XLogP value of 4.26502 indicates that 2,4,6-Trinitrophenol--1-methylnaphthalene (1/1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 158.0 Ų indicates high polarity, suggesting 2,4,6-Trinitrophenol--1-methylnaphthalene (1/1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,4,6-Trinitrophenol--1-methylnaphthalene (1/1) has 1 hydrogen bond donor(s) and 7 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--1-methylnaphthalene (1/1)?
The CAS number of 2,4,6-Trinitrophenol--1-methylnaphthalene (1/1) is 5160-54-3.
What is the molecular formula of 2,4,6-Trinitrophenol--1-methylnaphthalene (1/1)?
The molecular formula of 2,4,6-Trinitrophenol--1-methylnaphthalene (1/1) is C17H13N3O7.
What is the molecular weight of 2,4,6-Trinitrophenol--1-methylnaphthalene (1/1)?
The molecular weight of 2,4,6-Trinitrophenol--1-methylnaphthalene (1/1) is 371.08 g/mol.
Where can I buy 2,4,6-Trinitrophenol--1-methylnaphthalene (1/1)?
You can request a quote for 2,4,6-Trinitrophenol--1-methylnaphthalene (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--1-methylnaphthalene (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Trinitrophenol--1-methylnaphthalene (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.