1,2,7-Trimethylnaphthalene; 2,4,6-trinitrophenol
TL;DR: 1,2,7-Trimethylnaphthalene; 2,4,6-trinitrophenol (CAS 20013-80-3) is a chemical compound with molecular formula C19H17N3O7 and molecular weight 399.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,7-trimethylnaphthalene;2,4,6-trinitrophenol
Also Known As: 1,2,7-trimethylnaphthalene; 2,4,6-trinitrophenol, 1,2,7-trimethylnaphthalene,2,4,6-trinitrophenol, 2,4,6-Trinitrophenol--1,2,7-trimethylnaphthalene (1/1)
| Molecular Formula | C19H17N3O7 |
|---|---|
| Molecular Weight | 399.11 g/mol |
| LogP | 4.88186 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 399.10666 |
| Heavy Atoms | 29 |
| Complexity | 464.0 |
Chemical Identifiers
| CAS Number | 20013-80-3 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)C=CC(=C2C)C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | HFNXNGWCWUEEHH-UHFFFAOYSA-N |
Product Overview
1,2,7-Trimethylnaphthalene; 2,4,6-trinitrophenol (CAS 20013-80-3), with molecular formula C19H17N3O7 and molecular weight 399.11 g/mol. IUPAC: 1,2,7-trimethylnaphthalene;2,4,6-trinitrophenol.
Chemical Property Profile of 1,2,7-Trimethylnaphthalene; 2,4,6-trinitrophenol
Property Insights of 1,2,7-Trimethylnaphthalene; 2,4,6-trinitrophenol
The XLogP value of 4.88186 indicates that 1,2,7-Trimethylnaphthalene; 2,4,6-trinitrophenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 158.0 Ų indicates high polarity, suggesting 1,2,7-Trimethylnaphthalene; 2,4,6-trinitrophenol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,2,7-Trimethylnaphthalene; 2,4,6-trinitrophenol 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 1,2,7-Trimethylnaphthalene; 2,4,6-trinitrophenol?
The CAS number of 1,2,7-Trimethylnaphthalene; 2,4,6-trinitrophenol is 20013-80-3.
What is the molecular formula of 1,2,7-Trimethylnaphthalene; 2,4,6-trinitrophenol?
The molecular formula of 1,2,7-Trimethylnaphthalene; 2,4,6-trinitrophenol is C19H17N3O7.
What is the molecular weight of 1,2,7-Trimethylnaphthalene; 2,4,6-trinitrophenol?
The molecular weight of 1,2,7-Trimethylnaphthalene; 2,4,6-trinitrophenol is 399.11 g/mol.
Where can I buy 1,2,7-Trimethylnaphthalene; 2,4,6-trinitrophenol?
You can request a quote for 1,2,7-Trimethylnaphthalene; 2,4,6-trinitrophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,7-Trimethylnaphthalene; 2,4,6-trinitrophenol?
Yes, KEHONG BIO provides custom synthesis services for 1,2,7-Trimethylnaphthalene; 2,4,6-trinitrophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.