9-Ethylanthracene; 1,3,5-trinitrobenzene
TL;DR: 9-Ethylanthracene; 1,3,5-trinitrobenzene (CAS 7598-02-9) is a chemical compound with molecular formula C22H17N3O6 and molecular weight 419.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-ethylanthracene;1,3,5-trinitrobenzene
Also Known As: 9-Ethylanthracene, 9-ethylanthracene; 1,3,5-trinitrobenzene, 9-Ethylanthracene--1,3,5-trinitrobenzene (1/1)
| Molecular Formula | C22H17N3O6 |
|---|---|
| Molecular Weight | 419.11 g/mol |
| LogP | 5.9666 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 419.11172 |
| Heavy Atoms | 31 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 7598-02-9 |
|---|---|
| SMILES | CCC1=C2C=CC=CC2=CC3=CC=CC=C31.C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | OFUKOFAPVDISEE-UHFFFAOYSA-N |
Product Overview
9-Ethylanthracene; 1,3,5-trinitrobenzene (CAS 7598-02-9), with molecular formula C22H17N3O6 and molecular weight 419.11 g/mol. IUPAC: 9-ethylanthracene;1,3,5-trinitrobenzene.
Chemical Property Profile of 9-Ethylanthracene; 1,3,5-trinitrobenzene
Property Insights of 9-Ethylanthracene; 1,3,5-trinitrobenzene
The XLogP value of 5.9666 indicates that 9-Ethylanthracene; 1,3,5-trinitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-Ethylanthracene; 1,3,5-trinitrobenzene. Following Lipinski's Rule of Five, 9-Ethylanthracene; 1,3,5-trinitrobenzene has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9-Ethylanthracene; 1,3,5-trinitrobenzene?
The CAS number of 9-Ethylanthracene; 1,3,5-trinitrobenzene is 7598-02-9.
What is the molecular formula of 9-Ethylanthracene; 1,3,5-trinitrobenzene?
The molecular formula of 9-Ethylanthracene; 1,3,5-trinitrobenzene is C22H17N3O6.
What is the molecular weight of 9-Ethylanthracene; 1,3,5-trinitrobenzene?
The molecular weight of 9-Ethylanthracene; 1,3,5-trinitrobenzene is 419.11 g/mol.
Where can I buy 9-Ethylanthracene; 1,3,5-trinitrobenzene?
You can request a quote for 9-Ethylanthracene; 1,3,5-trinitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Ethylanthracene; 1,3,5-trinitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 9-Ethylanthracene; 1,3,5-trinitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.