1,5-Dinitroso-1,5-diazocane
TL;DR: 1,5-Dinitroso-1,5-diazocane (CAS 55556-89-3) is a chemical compound with molecular formula C6H12N4O2 and molecular weight 172.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,5-dinitroso-1,5-diazocane
Also Known As: 1,5-Dinitroso-1,5-diazocane, 1,5-Dinitrosooctahydro-1,5-diazocine, 1,5-Dinitroso-1,5-diazocane #, 1,5-Diazocine, octahydro-1,5-dinitroso-
| Molecular Formula | C6H12N4O2 |
|---|---|
| Molecular Weight | 172.10 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 65.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 172.09602 |
| Heavy Atoms | 12 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 55556-89-3 |
|---|---|
| SMILES | C1CN(CCCN(C1)N=O)N=O |
| InChIKey | URLYYQHDXKNTGO-UHFFFAOYSA-N |
Product Overview
1,5-Dinitroso-1,5-diazocane (CAS 55556-89-3), with molecular formula C6H12N4O2 and molecular weight 172.10 g/mol. IUPAC: 1,5-dinitroso-1,5-diazocane.
Chemical Property Profile of 1,5-Dinitroso-1,5-diazocane
Property Insights of 1,5-Dinitroso-1,5-diazocane
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,5-Dinitroso-1,5-diazocane. The TPSA of 65.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,5-Dinitroso-1,5-diazocane. Following Lipinski's Rule of Five, 1,5-Dinitroso-1,5-diazocane 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 1,5-Dinitroso-1,5-diazocane?
The CAS number of 1,5-Dinitroso-1,5-diazocane is 55556-89-3.
What is the molecular formula of 1,5-Dinitroso-1,5-diazocane?
The molecular formula of 1,5-Dinitroso-1,5-diazocane is C6H12N4O2.
What is the molecular weight of 1,5-Dinitroso-1,5-diazocane?
The molecular weight of 1,5-Dinitroso-1,5-diazocane is 172.10 g/mol.
Where can I buy 1,5-Dinitroso-1,5-diazocane?
You can request a quote for 1,5-Dinitroso-1,5-diazocane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,5-Dinitroso-1,5-diazocane?
Yes, KEHONG BIO provides custom synthesis services for 1,5-Dinitroso-1,5-diazocane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.