![1-chloro-N,N-dimethyl-2-[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]-2-nitro-1-ethylenamine structure](/static/products/3383/338394-22-2.webp)
1-chloro-N,N-dimethyl-2-[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]-2-nitro-1-ethylenamine
TL;DR: 1-chloro-N,N-dimethyl-2-[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]-2-nitro-1-ethylenamine (CAS 338394-22-2) is a chemical compound with molecular formula C8H9ClF3N5O2 and molecular weight 299.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-N,N-dimethyl-2-[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitroethenamine
Also Known As: 1-chloro-N,N-dimethyl-2-[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]-2-nitro-1-ethylenamine, (E)-1-chloro-N,N-dimethyl-2-[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitroethenamine, 1-chloro-N,N-dimethyl-2-[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitroethenamine
| Molecular Formula | C8H9ClF3N5O2 |
|---|---|
| Molecular Weight | 299.04 g/mol |
| LogP | 1.5371 |
| Topological Polar Surface Area | 77.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 299.03967 |
| Heavy Atoms | 19 |
| Complexity | 536.977 |
Chemical Identifiers
| CAS Number | 338394-22-2 |
|---|---|
| SMILES | CN1C(=NN=C1C(F)(F)F)C(=C(N(C)C)Cl)[N+](=O)[O-] |
Product Overview
1-chloro-N,N-dimethyl-2-[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]-2-nitro-1-ethylenamine (CAS 338394-22-2), with molecular formula C8H9ClF3N5O2 and molecular weight 299.04 g/mol. IUPAC: 1-chloro-N,N-dimethyl-2-[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitroethenamine.
Chemical Property Profile of 1-chloro-N,N-dimethyl-2-[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]-2-nitro-1-ethylenamine
Property Insights of 1-chloro-N,N-dimethyl-2-[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]-2-nitro-1-ethylenamine
The XLogP value of 1.5371 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-chloro-N,N-dimethyl-2-[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]-2-nitro-1-ethylenamine. The TPSA of 77.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-chloro-N,N-dimethyl-2-[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]-2-nitro-1-ethylenamine. Following Lipinski's Rule of Five, 1-chloro-N,N-dimethyl-2-[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]-2-nitro-1-ethylenamine 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 1-chloro-N,N-dimethyl-2-[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]-2-nitro-1-ethylenamine?
The CAS number of 1-chloro-N,N-dimethyl-2-[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]-2-nitro-1-ethylenamine is 338394-22-2.
What is the molecular formula of 1-chloro-N,N-dimethyl-2-[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]-2-nitro-1-ethylenamine?
The molecular formula of 1-chloro-N,N-dimethyl-2-[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]-2-nitro-1-ethylenamine is C8H9ClF3N5O2.
What is the molecular weight of 1-chloro-N,N-dimethyl-2-[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]-2-nitro-1-ethylenamine?
The molecular weight of 1-chloro-N,N-dimethyl-2-[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]-2-nitro-1-ethylenamine is 299.04 g/mol.
Where can I buy 1-chloro-N,N-dimethyl-2-[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]-2-nitro-1-ethylenamine?
You can request a quote for 1-chloro-N,N-dimethyl-2-[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]-2-nitro-1-ethylenamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-chloro-N,N-dimethyl-2-[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]-2-nitro-1-ethylenamine?
Yes, KEHONG BIO provides custom synthesis services for 1-chloro-N,N-dimethyl-2-[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]-2-nitro-1-ethylenamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.