Diethyl hexane-1,6-diylbis(nitrocarbamate)
TL;DR: Diethyl hexane-1,6-diylbis(nitrocarbamate) (CAS 67577-92-8) is a chemical compound with molecular formula C12H22N4O8 and molecular weight 350.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Diethyl hexane-1,6-diylbis(nitrocarbamate)
ethyl N-[6-[ethoxycarbonyl(nitro)amino]hexyl]-N-nitrocarbamate
Also Known As: diethyl hexane-1,6-diylbis(nitrocarbamate), ethyl N-[6-[ethoxycarbonyl(nitro)amino]hexyl]-N-nitrocarbamate, N,N'-dinitro-N,N'-hexanediyl-bis-carbamic acid diethyl ester
| Molecular Formula | C12H22N4O8 |
|---|---|
| Molecular Weight | 350.14 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 151.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 350.14377 |
| Heavy Atoms | 24 |
| Complexity | 394.0 |
Chemical Identifiers
| CAS Number | 67577-92-8 |
|---|---|
| SMILES | CCOC(=O)N(CCCCCCN(C(=O)OCC)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | PSBAURNYAWRWIS-UHFFFAOYSA-N |
Product Overview
Diethyl hexane-1,6-diylbis(nitrocarbamate) (CAS 67577-92-8), with molecular formula C12H22N4O8 and molecular weight 350.14 g/mol. IUPAC: ethyl N-[6-[ethoxycarbonyl(nitro)amino]hexyl]-N-nitrocarbamate.
Chemical Property Profile of Diethyl hexane-1,6-diylbis(nitrocarbamate)
Property Insights of Diethyl hexane-1,6-diylbis(nitrocarbamate)
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl hexane-1,6-diylbis(nitrocarbamate). The TPSA of 151.0 Ų indicates high polarity, suggesting Diethyl hexane-1,6-diylbis(nitrocarbamate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 己烷-1,6-二基双(硝基氨基甲酸)二乙酯 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 己烷-1,6-二基双(硝基氨基甲酸)二乙酯?
The CAS number of 己烷-1,6-二基双(硝基氨基甲酸)二乙酯 is 67577-92-8.
What is the molecular formula of 己烷-1,6-二基双(硝基氨基甲酸)二乙酯?
The molecular formula of 己烷-1,6-二基双(硝基氨基甲酸)二乙酯 is C12H22N4O8.
What is the molecular weight of 己烷-1,6-二基双(硝基氨基甲酸)二乙酯?
The molecular weight of 己烷-1,6-二基双(硝基氨基甲酸)二乙酯 is 350.14 g/mol.
Where can I buy 己烷-1,6-二基双(硝基氨基甲酸)二乙酯?
You can request a quote for 己烷-1,6-二基双(硝基氨基甲酸)二乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 己烷-1,6-二基双(硝基氨基甲酸)二乙酯?
Yes, KEHONG BIO provides custom synthesis services for 己烷-1,6-二基双(硝基氨基甲酸)二乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.