![4-chloro-N-[2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitro-ethenyl]aniline structure](/static/products/4000/400079-84-7.webp)
4-chloro-N-[2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitro-ethenyl]aniline
TL;DR: 4-chloro-N-[2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitro-ethenyl]aniline (CAS 400079-84-7) is a chemical compound with molecular formula C18H13ClF3N5O3 and molecular weight 439.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-[2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitroethenyl]aniline
Also Known As: 4-chloro-N-[2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitro-ethenyl]aniline, 4-chloro-N-[2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitroethenyl]aniline, 4-chloro-N-{2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]-2-nitrovinyl}aniline
| Molecular Formula | C18H13ClF3N5O3 |
|---|---|
| Molecular Weight | 439.07 g/mol |
| LogP | 4.6353 |
| Topological Polar Surface Area | 95.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 439.0659 |
| Heavy Atoms | 30 |
| Complexity | 1079.9415 |
Chemical Identifiers
| CAS Number | 400079-84-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=NN=C2C(F)(F)F)C(=CNC3=CC=C(C=C3)Cl)[N+](=O)[O-] |
Product Overview
4-chloro-N-[2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitro-ethenyl]aniline (CAS 400079-84-7), with molecular formula C18H13ClF3N5O3 and molecular weight 439.07 g/mol. IUPAC: 4-chloro-N-[2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitroethenyl]aniline.
Chemical Property Profile of 4-chloro-N-[2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitro-ethenyl]aniline
Property Insights of 4-chloro-N-[2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitro-ethenyl]aniline
The XLogP value of 4.6353 indicates that 4-chloro-N-[2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitro-ethenyl]aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-chloro-N-[2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitro-ethenyl]aniline. Following Lipinski's Rule of Five, 4-chloro-N-[2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitro-ethenyl]aniline has 1 hydrogen bond donor(s) and 6 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 4-chloro-N-[2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitro-ethenyl]aniline?
The CAS number of 4-chloro-N-[2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitro-ethenyl]aniline is 400079-84-7.
What is the molecular formula of 4-chloro-N-[2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitro-ethenyl]aniline?
The molecular formula of 4-chloro-N-[2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitro-ethenyl]aniline is C18H13ClF3N5O3.
What is the molecular weight of 4-chloro-N-[2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitro-ethenyl]aniline?
The molecular weight of 4-chloro-N-[2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitro-ethenyl]aniline is 439.07 g/mol.
Where can I buy 4-chloro-N-[2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitro-ethenyl]aniline?
You can request a quote for 4-chloro-N-[2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitro-ethenyl]aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-N-[2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitro-ethenyl]aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-N-[2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitro-ethenyl]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.