3,7-Di-tert-butyl-1,5-dinitronaphthalene
TL;DR: 3,7-Di-tert-butyl-1,5-dinitronaphthalene (CAS 20870-37-5) is a chemical compound with molecular formula C18H22N2O4 and molecular weight 330.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-ditert-butyl-1,5-dinitronaphthalene
Also Known As: 3,7-di-tert-butyl-1,5-dinitronaphthalene, 3,7-ditert-butyl-1,5-dinitronaphthalene, Maybridge1_006911, RARECHEM AQ BD 0NA3, 3,7-di(tert-butyl)-1,5-dinitronaphthalene
| Molecular Formula | C18H22N2O4 |
|---|---|
| Molecular Weight | 330.16 g/mol |
| LogP | 5.2512 |
| Topological Polar Surface Area | 86.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 330.15796 |
| Heavy Atoms | 24 |
| Complexity | 771.4383 |
Chemical Identifiers
| CAS Number | 20870-37-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC2=C(C=C(C=C2[N+](=O)[O-])C(C)(C)C)C(=C1)[N+](=O)[O-] |
Product Overview
3,7-Di-tert-butyl-1,5-dinitronaphthalene (CAS 20870-37-5), with molecular formula C18H22N2O4 and molecular weight 330.16 g/mol. IUPAC: 3,7-ditert-butyl-1,5-dinitronaphthalene.
Chemical Property Profile of 3,7-Di-tert-butyl-1,5-dinitronaphthalene
Property Insights of 3,7-Di-tert-butyl-1,5-dinitronaphthalene
The XLogP value of 5.2512 indicates that 3,7-Di-tert-butyl-1,5-dinitronaphthalene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,7-Di-tert-butyl-1,5-dinitronaphthalene. Following Lipinski's Rule of Five, 3,7-Di-tert-butyl-1,5-dinitronaphthalene has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,7-Di-tert-butyl-1,5-dinitronaphthalene?
The CAS number of 3,7-Di-tert-butyl-1,5-dinitronaphthalene is 20870-37-5.
What is the molecular formula of 3,7-Di-tert-butyl-1,5-dinitronaphthalene?
The molecular formula of 3,7-Di-tert-butyl-1,5-dinitronaphthalene is C18H22N2O4.
What is the molecular weight of 3,7-Di-tert-butyl-1,5-dinitronaphthalene?
The molecular weight of 3,7-Di-tert-butyl-1,5-dinitronaphthalene is 330.16 g/mol.
Where can I buy 3,7-Di-tert-butyl-1,5-dinitronaphthalene?
You can request a quote for 3,7-Di-tert-butyl-1,5-dinitronaphthalene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7-Di-tert-butyl-1,5-dinitronaphthalene?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Di-tert-butyl-1,5-dinitronaphthalene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.