(1E)-1-(2,6-Difluorophenyl)-3,3-dimethyltriaz-1-ene
TL;DR: (1E)-1-(2,6-Difluorophenyl)-3,3-dimethyltriaz-1-ene (CAS 66974-99-0) is a chemical compound with molecular formula C8H9F2N3 and molecular weight 185.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2,6-difluorophenyl)diazenyl]-N-methylmethanamine
Also Known As: 1-Triazene,6-difluorophenyl)-3,3-dimethyl-, N-[(2,6-difluorophenyl)diazenyl]-N-methylmethanamine, (1E)-1-(2,6-Difluorophenyl)-3,3-dimethyltriaz-1-ene
| Molecular Formula | C8H9F2N3 |
|---|---|
| Molecular Weight | 185.08 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 28.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 185.07645 |
| Heavy Atoms | 13 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 66974-99-0 |
|---|---|
| SMILES | CN(C)N=NC1=C(C=CC=C1F)F |
| InChIKey | UOUSJMUQDFPEHV-UHFFFAOYSA-N |
Product Overview
(1E)-1-(2,6-Difluorophenyl)-3,3-dimethyltriaz-1-ene (CAS 66974-99-0), with molecular formula C8H9F2N3 and molecular weight 185.08 g/mol. IUPAC: N-[(2,6-difluorophenyl)diazenyl]-N-methylmethanamine.
Chemical Property Profile of (1E)-1-(2,6-Difluorophenyl)-3,3-dimethyltriaz-1-ene
Property Insights of (1E)-1-(2,6-Difluorophenyl)-3,3-dimethyltriaz-1-ene
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1E)-1-(2,6-Difluorophenyl)-3,3-dimethyltriaz-1-ene. With a topological polar surface area (TPSA) of 28.0 Ų, (1E)-1-(2,6-Difluorophenyl)-3,3-dimethyltriaz-1-ene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1E)-1-(2,6-Difluorophenyl)-3,3-dimethyltriaz-1-ene has 0 hydrogen bond donor(s) and 5 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 (1E)-1-(2,6-Difluorophenyl)-3,3-dimethyltriaz-1-ene?
The CAS number of (1E)-1-(2,6-Difluorophenyl)-3,3-dimethyltriaz-1-ene is 66974-99-0.
What is the molecular formula of (1E)-1-(2,6-Difluorophenyl)-3,3-dimethyltriaz-1-ene?
The molecular formula of (1E)-1-(2,6-Difluorophenyl)-3,3-dimethyltriaz-1-ene is C8H9F2N3.
What is the molecular weight of (1E)-1-(2,6-Difluorophenyl)-3,3-dimethyltriaz-1-ene?
The molecular weight of (1E)-1-(2,6-Difluorophenyl)-3,3-dimethyltriaz-1-ene is 185.08 g/mol.
Where can I buy (1E)-1-(2,6-Difluorophenyl)-3,3-dimethyltriaz-1-ene?
You can request a quote for (1E)-1-(2,6-Difluorophenyl)-3,3-dimethyltriaz-1-ene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1E)-1-(2,6-Difluorophenyl)-3,3-dimethyltriaz-1-ene?
Yes, KEHONG BIO provides custom synthesis services for (1E)-1-(2,6-Difluorophenyl)-3,3-dimethyltriaz-1-ene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.