(1e)-1-(2-Chloro-4-nitrophenyl)-3,3-dimethyltriaz-1-ene
TL;DR: (1e)-1-(2-Chloro-4-nitrophenyl)-3,3-dimethyltriaz-1-ene (CAS 52703-94-3) is a chemical compound with molecular formula C8H9ClN4O2 and molecular weight 228.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-chloro-4-nitrophenyl)diazenyl]-N-methylmethanamine
Also Known As: KST-1A5368, (1e)-1-(2-chloro-4-nitrophenyl)-3,3-dimethyltriaz-1-ene, J1.658.819I, 1-(2-Chloro-4-nitrophenyl)-3,3-dimethyltriazene, N-[(2-chloro-4-nitrophenyl)diazenyl]-N-methylmethanamine
| Molecular Formula | C8H9ClN4O2 |
|---|---|
| Molecular Weight | 228.04 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 73.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.0414 |
| Heavy Atoms | 15 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 52703-94-3 |
|---|---|
| SMILES | CN(C)N=NC1=C(C=C(C=C1)[N+](=O)[O-])Cl |
| InChIKey | PEFSNGPKTIRLJO-UHFFFAOYSA-N |
Product Overview
(1e)-1-(2-Chloro-4-nitrophenyl)-3,3-dimethyltriaz-1-ene (CAS 52703-94-3), with molecular formula C8H9ClN4O2 and molecular weight 228.04 g/mol. IUPAC: N-[(2-chloro-4-nitrophenyl)diazenyl]-N-methylmethanamine.
Chemical Property Profile of (1e)-1-(2-Chloro-4-nitrophenyl)-3,3-dimethyltriaz-1-ene
Property Insights of (1e)-1-(2-Chloro-4-nitrophenyl)-3,3-dimethyltriaz-1-ene
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1e)-1-(2-Chloro-4-nitrophenyl)-3,3-dimethyltriaz-1-ene. The TPSA of 73.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (1e)-1-(2-Chloro-4-nitrophenyl)-3,3-dimethyltriaz-1-ene. Following Lipinski's Rule of Five, (1e)-1-(2-Chloro-4-nitrophenyl)-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-Chloro-4-nitrophenyl)-3,3-dimethyltriaz-1-ene?
The CAS number of (1e)-1-(2-Chloro-4-nitrophenyl)-3,3-dimethyltriaz-1-ene is 52703-94-3.
What is the molecular formula of (1e)-1-(2-Chloro-4-nitrophenyl)-3,3-dimethyltriaz-1-ene?
The molecular formula of (1e)-1-(2-Chloro-4-nitrophenyl)-3,3-dimethyltriaz-1-ene is C8H9ClN4O2.
What is the molecular weight of (1e)-1-(2-Chloro-4-nitrophenyl)-3,3-dimethyltriaz-1-ene?
The molecular weight of (1e)-1-(2-Chloro-4-nitrophenyl)-3,3-dimethyltriaz-1-ene is 228.04 g/mol.
Where can I buy (1e)-1-(2-Chloro-4-nitrophenyl)-3,3-dimethyltriaz-1-ene?
You can request a quote for (1e)-1-(2-Chloro-4-nitrophenyl)-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-Chloro-4-nitrophenyl)-3,3-dimethyltriaz-1-ene?
Yes, KEHONG BIO provides custom synthesis services for (1e)-1-(2-Chloro-4-nitrophenyl)-3,3-dimethyltriaz-1-ene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.