1,3-Dinitro-1,3-diazacycloheptane
TL;DR: 1,3-Dinitro-1,3-diazacycloheptane (CAS 5754-90-5) is a chemical compound with molecular formula C5H10N4O4 and molecular weight 190.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dinitro-1,3-diazepane
Also Known As: 1,3-Dinitro-1,3-diazacycloheptane, 1,3-dinitro-1,3-diazepane, 1,3-dinirto-1,3-diazacycloheptane, 1,3-Dinitrohexahydro-1H-1,3-diazepine, Hexahydro-1,3-dinitro-1H-1,3-diazepine
| Molecular Formula | C5H10N4O4 |
|---|---|
| Molecular Weight | 190.07 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 98.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 190.0702 |
| Heavy Atoms | 13 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 5754-90-5 |
|---|---|
| SMILES | C1CCN(CN(C1)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | XFBIFYVTPFYRSQ-UHFFFAOYSA-N |
Product Overview
1,3-Dinitro-1,3-diazacycloheptane (CAS 5754-90-5), with molecular formula C5H10N4O4 and molecular weight 190.07 g/mol. IUPAC: 1,3-dinitro-1,3-diazepane.
Chemical Property Profile of 1,3-Dinitro-1,3-diazacycloheptane
Property Insights of 1,3-Dinitro-1,3-diazacycloheptane
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dinitro-1,3-diazacycloheptane. The TPSA of 98.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dinitro-1,3-diazacycloheptane. Following Lipinski's Rule of Five, 1,3-Dinitro-1,3-diazacycloheptane 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 1,3-Dinitro-1,3-diazacycloheptane?
The CAS number of 1,3-Dinitro-1,3-diazacycloheptane is 5754-90-5.
What is the molecular formula of 1,3-Dinitro-1,3-diazacycloheptane?
The molecular formula of 1,3-Dinitro-1,3-diazacycloheptane is C5H10N4O4.
What is the molecular weight of 1,3-Dinitro-1,3-diazacycloheptane?
The molecular weight of 1,3-Dinitro-1,3-diazacycloheptane is 190.07 g/mol.
Where can I buy 1,3-Dinitro-1,3-diazacycloheptane?
You can request a quote for 1,3-Dinitro-1,3-diazacycloheptane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dinitro-1,3-diazacycloheptane?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dinitro-1,3-diazacycloheptane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.