3,7-二硝基-1,3,5,7-四氮杂二环壬烷
TL;DR: 3,7-二硝基-1,3,5,7-四氮杂二环壬烷 (CAS 949-56-4) is a chemical compound with molecular formula C5H10N6O4 and molecular weight 218.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-二硝基-1,3,5,7-四氮杂二环壬烷
3,7-dinitro-1,3,5,7-tetrazabicyclo[3.3.1]nonane
Also Known As: Dinitropentamethylenetetramine, 3,7-dinitro-1,3,5,7-tetraazabicyclo[3.3.1]nonane, Ex113, DPT (the tetraazabicyclononane derivative), 3,7-Dinitro-1,3,5,7-tetraazabicyclo(3.3.1)nonane
| Molecular Formula | C5H10N6O4 |
|---|---|
| Molecular Weight | 218.08 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 218.07635 |
| Heavy Atoms | 15 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 949-56-4 |
|---|---|
| SMILES | C1N2CN(CN1CN(C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | UOYIYWCAYFTQLH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,7-二硝基-1,3,5,7-四氮杂二环壬烷 (CAS 949-56-4), with molecular formula C5H10N6O4 and molecular weight 218.08 g/mol. IUPAC: 3,7-dinitro-1,3,5,7-tetrazabicyclo[3.3.1]nonane.
Chemical Property Profile of 3,7-二硝基-1,3,5,7-四氮杂二环壬烷
Property Insights of 3,7-二硝基-1,3,5,7-四氮杂二环壬烷
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,7-二硝基-1,3,5,7-四氮杂二环壬烷. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,7-二硝基-1,3,5,7-四氮杂二环壬烷. Following Lipinski's Rule of Five, 3,7-二硝基-1,3,5,7-四氮杂二环壬烷 has 0 hydrogen bond donor(s) and 8 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 3,7-二硝基-1,3,5,7-四氮杂二环壬烷?
The CAS number of 3,7-二硝基-1,3,5,7-四氮杂二环壬烷 is 949-56-4.
What is the molecular formula of 3,7-二硝基-1,3,5,7-四氮杂二环壬烷?
The molecular formula of 3,7-二硝基-1,3,5,7-四氮杂二环壬烷 is C5H10N6O4.
What is the molecular weight of 3,7-二硝基-1,3,5,7-四氮杂二环壬烷?
The molecular weight of 3,7-二硝基-1,3,5,7-四氮杂二环壬烷 is 218.08 g/mol.
Where can I buy 3,7-二硝基-1,3,5,7-四氮杂二环壬烷?
You can request a quote for 3,7-二硝基-1,3,5,7-四氮杂二环壬烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7-二硝基-1,3,5,7-四氮杂二环壬烷?
Yes, KEHONG BIO provides custom synthesis services for 3,7-二硝基-1,3,5,7-四氮杂二环壬烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.