N-(2-(3-(Allylsulfanyl)-6-methyl-1,2,4-triazin-5-yl)vinyl)-4-fluoroaniline
TL;DR: N-(2-(3-(Allylsulfanyl)-6-methyl-1,2,4-triazin-5-yl)vinyl)-4-fluoroaniline (CAS 477865-95-5) is a chemical compound with molecular formula C15H15FN4S and molecular weight 302.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-fluoro-N-[(E)-2-(6-methyl-3-prop-2-enylsulfanyl-1,2,4-triazin-5-yl)ethenyl]aniline
Also Known As: 1L-316S, N-(2-(3-(Allylsulfanyl)-6-methyl-1,2,4-triazin-5-yl)vinyl)-4-fluoroaniline, 4-fluoro-N-[(E)-2-(6-methyl-3-prop-2-enylsulfanyl-1,2,4-triazin-5-yl)ethenyl]aniline, 4-fluoro-N-[(E)-2-[6-methyl-3-(prop-2-en-1-ylsulfanyl)-1,2,4-triazin-5-yl]ethenyl]aniline, N-{2-[3-(allylsulfanyl)-6-methyl-1,2,4-triazin-5-yl]vinyl}-4-fluoroaniline
| Molecular Formula | C15H15FN4S |
|---|---|
| Molecular Weight | 302.10 g/mol |
| LogP | 3.68002 |
| Topological Polar Surface Area | 50.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 302.10016 |
| Heavy Atoms | 21 |
| Complexity | 640.62195 |
Chemical Identifiers
| CAS Number | 477865-95-5 |
|---|---|
| SMILES | CC1=C(N=C(N=N1)SCC=C)/C=C/NC2=CC=C(C=C2)F |
Product Overview
N-(2-(3-(Allylsulfanyl)-6-methyl-1,2,4-triazin-5-yl)vinyl)-4-fluoroaniline (CAS 477865-95-5), with molecular formula C15H15FN4S and molecular weight 302.10 g/mol. IUPAC: 4-fluoro-N-[(E)-2-(6-methyl-3-prop-2-enylsulfanyl-1,2,4-triazin-5-yl)ethenyl]aniline.
Chemical Property Profile of N-(2-(3-(Allylsulfanyl)-6-methyl-1,2,4-triazin-5-yl)vinyl)-4-fluoroaniline
Property Insights of N-(2-(3-(Allylsulfanyl)-6-methyl-1,2,4-triazin-5-yl)vinyl)-4-fluoroaniline
The XLogP value of 3.68002 indicates that N-(2-(3-(Allylsulfanyl)-6-methyl-1,2,4-triazin-5-yl)vinyl)-4-fluoroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.7 Ų, N-(2-(3-(Allylsulfanyl)-6-methyl-1,2,4-triazin-5-yl)vinyl)-4-fluoroaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-(3-(Allylsulfanyl)-6-methyl-1,2,4-triazin-5-yl)vinyl)-4-fluoroaniline has 1 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 N-(2-(3-(Allylsulfanyl)-6-methyl-1,2,4-triazin-5-yl)vinyl)-4-fluoroaniline?
The CAS number of N-(2-(3-(Allylsulfanyl)-6-methyl-1,2,4-triazin-5-yl)vinyl)-4-fluoroaniline is 477865-95-5.
What is the molecular formula of N-(2-(3-(Allylsulfanyl)-6-methyl-1,2,4-triazin-5-yl)vinyl)-4-fluoroaniline?
The molecular formula of N-(2-(3-(Allylsulfanyl)-6-methyl-1,2,4-triazin-5-yl)vinyl)-4-fluoroaniline is C15H15FN4S.
What is the molecular weight of N-(2-(3-(Allylsulfanyl)-6-methyl-1,2,4-triazin-5-yl)vinyl)-4-fluoroaniline?
The molecular weight of N-(2-(3-(Allylsulfanyl)-6-methyl-1,2,4-triazin-5-yl)vinyl)-4-fluoroaniline is 302.10 g/mol.
Where can I buy N-(2-(3-(Allylsulfanyl)-6-methyl-1,2,4-triazin-5-yl)vinyl)-4-fluoroaniline?
You can request a quote for N-(2-(3-(Allylsulfanyl)-6-methyl-1,2,4-triazin-5-yl)vinyl)-4-fluoroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-(3-(Allylsulfanyl)-6-methyl-1,2,4-triazin-5-yl)vinyl)-4-fluoroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-(2-(3-(Allylsulfanyl)-6-methyl-1,2,4-triazin-5-yl)vinyl)-4-fluoroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.