1,4,5-三硝基萘
TL;DR: 1,4,5-三硝基萘 (CAS 2243-95-0) is a chemical compound with molecular formula C10H5N3O6 and molecular weight 263.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4,5-三硝基萘
1,4,5-trinitronaphthalene
Also Known As: 1,4,5-Trinitronaphthalene, Naphthalene, 1,4,5-trinitro-, 1,4,5-Trinitronaphthalen, 1,4,5-Trinitro-naphthalin, Naphthalene,1,4,5-trinitro-
| Molecular Formula | C10H5N3O6 |
|---|---|
| Molecular Weight | 263.02 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 263.01782 |
| Heavy Atoms | 19 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 2243-95-0 |
|---|---|
| SMILES | C1=CC2=C(C=CC(=C2C(=C1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | PPJVBBJMDLANLB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4,5-三硝基萘 (CAS 2243-95-0), with molecular formula C10H5N3O6 and molecular weight 263.02 g/mol. IUPAC: 1,4,5-trinitronaphthalene.
Chemical Property Profile of 1,4,5-三硝基萘
Property Insights of 1,4,5-三硝基萘
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4,5-三硝基萘. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4,5-三硝基萘. Following Lipinski's Rule of Five, 1,4,5-三硝基萘 has 0 hydrogen bond donor(s) and 6 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 1,4,5-三硝基萘?
The CAS number of 1,4,5-三硝基萘 is 2243-95-0.
What is the molecular formula of 1,4,5-三硝基萘?
The molecular formula of 1,4,5-三硝基萘 is C10H5N3O6.
What is the molecular weight of 1,4,5-三硝基萘?
The molecular weight of 1,4,5-三硝基萘 is 263.02 g/mol.
Where can I buy 1,4,5-三硝基萘?
You can request a quote for 1,4,5-三硝基萘 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4,5-三硝基萘?
Yes, KEHONG BIO provides custom synthesis services for 1,4,5-三硝基萘 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.