(E)-2-((3,7-Dimethyl-2,6-octadienyl)nitrosoamino)ethanol
TL;DR: (E)-2-((3,7-Dimethyl-2,6-octadienyl)nitrosoamino)ethanol (CAS 80324-65-8) is a chemical compound with molecular formula C12H22N2O2 and molecular weight 226.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-(2-hydroxyethyl)nitrous amide
Also Known As: NIOSH/KK7185000, (E)-2-((3,7-Dimethyl-2,6-octadienyl)nitrosoamino)ethanol, Ethanol, 2-((3,7-dimethyl-2,6-octadienyl)nitrosoamino)-, (E)-, N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-(2-hydroxyethyl)nitrous amide, Ethanol, 2-((3,7-dimethyl-2,6-octadienyl)nitrosoamino)-, (Z)-
| Molecular Formula | C12H22N2O2 |
|---|---|
| Molecular Weight | 226.17 g/mol |
| LogP | 2.6548 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 226.16812 |
| Heavy Atoms | 16 |
| Complexity | 255.74437 |
Chemical Identifiers
| CAS Number | 80324-65-8 |
|---|---|
| SMILES | CC(=CCC/C(=C/CN(CCO)N=O)/C)C |
Product Overview
(E)-2-((3,7-Dimethyl-2,6-octadienyl)nitrosoamino)ethanol (CAS 80324-65-8), with molecular formula C12H22N2O2 and molecular weight 226.17 g/mol. IUPAC: N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-(2-hydroxyethyl)nitrous amide.
Chemical Property Profile of (E)-2-((3,7-Dimethyl-2,6-octadienyl)nitrosoamino)ethanol
Property Insights of (E)-2-((3,7-Dimethyl-2,6-octadienyl)nitrosoamino)ethanol
The XLogP value of 2.6548 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-((3,7-Dimethyl-2,6-octadienyl)nitrosoamino)ethanol. With a topological polar surface area (TPSA) of 52.9 Ų, (E)-2-((3,7-Dimethyl-2,6-octadienyl)nitrosoamino)ethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-2-((3,7-Dimethyl-2,6-octadienyl)nitrosoamino)ethanol has 1 hydrogen bond donor(s) and 3 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 (E)-2-((3,7-Dimethyl-2,6-octadienyl)nitrosoamino)ethanol?
The CAS number of (E)-2-((3,7-Dimethyl-2,6-octadienyl)nitrosoamino)ethanol is 80324-65-8.
What is the molecular formula of (E)-2-((3,7-Dimethyl-2,6-octadienyl)nitrosoamino)ethanol?
The molecular formula of (E)-2-((3,7-Dimethyl-2,6-octadienyl)nitrosoamino)ethanol is C12H22N2O2.
What is the molecular weight of (E)-2-((3,7-Dimethyl-2,6-octadienyl)nitrosoamino)ethanol?
The molecular weight of (E)-2-((3,7-Dimethyl-2,6-octadienyl)nitrosoamino)ethanol is 226.17 g/mol.
Where can I buy (E)-2-((3,7-Dimethyl-2,6-octadienyl)nitrosoamino)ethanol?
You can request a quote for (E)-2-((3,7-Dimethyl-2,6-octadienyl)nitrosoamino)ethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-((3,7-Dimethyl-2,6-octadienyl)nitrosoamino)ethanol?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-((3,7-Dimethyl-2,6-octadienyl)nitrosoamino)ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.