1,4-Dinitrocycloocta-1,3,5,7-tetraene
TL;DR: 1,4-Dinitrocycloocta-1,3,5,7-tetraene (CAS 54755-18-9) is a chemical compound with molecular formula C8H6N2O4 and molecular weight 194.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-dinitrocycloocta-1,3,5,7-tetraene
Also Known As: 1,4-Dinitrocyclooctatetraene, 1,3,5,7-Cyclooctatetraene,1,4-dinitro-, 1,3,5,7-Cyclooctatetraene, 1,4-dinitro-
| Molecular Formula | C8H6N2O4 |
|---|---|
| Molecular Weight | 194.03 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 194.03276 |
| Heavy Atoms | 14 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 54755-18-9 |
|---|---|
| SMILES | C1=CC(=CC=C(C=C1)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | GRMYFWFBOIJSEI-UHFFFAOYSA-N |
Product Overview
1,4-Dinitrocycloocta-1,3,5,7-tetraene (CAS 54755-18-9), with molecular formula C8H6N2O4 and molecular weight 194.03 g/mol. IUPAC: 1,4-dinitrocycloocta-1,3,5,7-tetraene.
Chemical Property Profile of 1,4-Dinitrocycloocta-1,3,5,7-tetraene
Property Insights of 1,4-Dinitrocycloocta-1,3,5,7-tetraene
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Dinitrocycloocta-1,3,5,7-tetraene. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Dinitrocycloocta-1,3,5,7-tetraene. Following Lipinski's Rule of Five, 1,4-Dinitrocycloocta-1,3,5,7-tetraene has 0 hydrogen bond donor(s) and 4 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-Dinitrocycloocta-1,3,5,7-tetraene?
The CAS number of 1,4-Dinitrocycloocta-1,3,5,7-tetraene is 54755-18-9.
What is the molecular formula of 1,4-Dinitrocycloocta-1,3,5,7-tetraene?
The molecular formula of 1,4-Dinitrocycloocta-1,3,5,7-tetraene is C8H6N2O4.
What is the molecular weight of 1,4-Dinitrocycloocta-1,3,5,7-tetraene?
The molecular weight of 1,4-Dinitrocycloocta-1,3,5,7-tetraene is 194.03 g/mol.
Where can I buy 1,4-Dinitrocycloocta-1,3,5,7-tetraene?
You can request a quote for 1,4-Dinitrocycloocta-1,3,5,7-tetraene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Dinitrocycloocta-1,3,5,7-tetraene?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dinitrocycloocta-1,3,5,7-tetraene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.