Diethyl hexane-1,6-diylbis(nitrosocarbamate)
TL;DR: Diethyl hexane-1,6-diylbis(nitrosocarbamate) (CAS 87494-89-1) is a chemical compound with molecular formula C12H22N4O6 and molecular weight 318.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[6-[ethoxycarbonyl(nitroso)amino]hexyl]-N-nitrosocarbamate
Also Known As: diethyl hexane-1,6-diylbis(nitrosocarbamate), ethyl N-[6-[ethoxycarbonyl(nitroso)amino]hexyl]-N-nitrosocarbamate, N,N'-dinitroso-N,N'-hexanediyl-bis-carbamic acid diethyl ester
| Molecular Formula | C12H22N4O6 |
|---|---|
| Molecular Weight | 318.15 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 318.15393 |
| Heavy Atoms | 22 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 87494-89-1 |
|---|---|
| SMILES | CCOC(=O)N(CCCCCCN(C(=O)OCC)N=O)N=O |
| InChIKey | VSYSZABEPDIGAS-UHFFFAOYSA-N |
Product Overview
Diethyl hexane-1,6-diylbis(nitrosocarbamate) (CAS 87494-89-1), with molecular formula C12H22N4O6 and molecular weight 318.15 g/mol. IUPAC: ethyl N-[6-[ethoxycarbonyl(nitroso)amino]hexyl]-N-nitrosocarbamate.
Chemical Property Profile of Diethyl hexane-1,6-diylbis(nitrosocarbamate)
Property Insights of Diethyl hexane-1,6-diylbis(nitrosocarbamate)
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl hexane-1,6-diylbis(nitrosocarbamate). The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl hexane-1,6-diylbis(nitrosocarbamate). Following Lipinski's Rule of Five, Diethyl hexane-1,6-diylbis(nitrosocarbamate) 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 Diethyl hexane-1,6-diylbis(nitrosocarbamate)?
The CAS number of Diethyl hexane-1,6-diylbis(nitrosocarbamate) is 87494-89-1.
What is the molecular formula of Diethyl hexane-1,6-diylbis(nitrosocarbamate)?
The molecular formula of Diethyl hexane-1,6-diylbis(nitrosocarbamate) is C12H22N4O6.
What is the molecular weight of Diethyl hexane-1,6-diylbis(nitrosocarbamate)?
The molecular weight of Diethyl hexane-1,6-diylbis(nitrosocarbamate) is 318.15 g/mol.
Where can I buy Diethyl hexane-1,6-diylbis(nitrosocarbamate)?
You can request a quote for Diethyl hexane-1,6-diylbis(nitrosocarbamate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl hexane-1,6-diylbis(nitrosocarbamate)?
Yes, KEHONG BIO provides custom synthesis services for Diethyl hexane-1,6-diylbis(nitrosocarbamate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.