N-(2-(3-(Allylsulfanyl)-6-methyl-1,2,4-triazin-5-yl)vinyl)-4-methylaniline
TL;DR: N-(2-(3-(Allylsulfanyl)-6-methyl-1,2,4-triazin-5-yl)vinyl)-4-methylaniline (CAS 477865-91-1) is a chemical compound with molecular formula C16H18N4S and molecular weight 298.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-N-[(E)-2-(6-methyl-3-prop-2-enylsulfanyl-1,2,4-triazin-5-yl)ethenyl]aniline
Also Known As: 1L-314S, N-(2-(3-(Allylsulfanyl)-6-methyl-1,2,4-triazin-5-yl)vinyl)-4-methylaniline, 4-methyl-N-[(E)-2-(6-methyl-3-prop-2-enylsulfanyl-1,2,4-triazin-5-yl)ethenyl]aniline, 4-methyl-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-methylaniline
| Molecular Formula | C16H18N4S |
|---|---|
| Molecular Weight | 298.13 g/mol |
| LogP | 3.84934 |
| Topological Polar Surface Area | 50.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 298.1252 |
| Heavy Atoms | 21 |
| Complexity | 635.2253 |
Chemical Identifiers
| CAS Number | 477865-91-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N/C=C/C2=C(N=NC(=N2)SCC=C)C |
Product Overview
N-(2-(3-(Allylsulfanyl)-6-methyl-1,2,4-triazin-5-yl)vinyl)-4-methylaniline (CAS 477865-91-1), with molecular formula C16H18N4S and molecular weight 298.13 g/mol. IUPAC: 4-methyl-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-methylaniline
Property Insights of N-(2-(3-(Allylsulfanyl)-6-methyl-1,2,4-triazin-5-yl)vinyl)-4-methylaniline
The XLogP value of 3.84934 indicates that N-(2-(3-(Allylsulfanyl)-6-methyl-1,2,4-triazin-5-yl)vinyl)-4-methylaniline 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-methylaniline 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-methylaniline 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-methylaniline?
The CAS number of N-(2-(3-(Allylsulfanyl)-6-methyl-1,2,4-triazin-5-yl)vinyl)-4-methylaniline is 477865-91-1.
What is the molecular formula of N-(2-(3-(Allylsulfanyl)-6-methyl-1,2,4-triazin-5-yl)vinyl)-4-methylaniline?
The molecular formula of N-(2-(3-(Allylsulfanyl)-6-methyl-1,2,4-triazin-5-yl)vinyl)-4-methylaniline is C16H18N4S.
What is the molecular weight of N-(2-(3-(Allylsulfanyl)-6-methyl-1,2,4-triazin-5-yl)vinyl)-4-methylaniline?
The molecular weight of N-(2-(3-(Allylsulfanyl)-6-methyl-1,2,4-triazin-5-yl)vinyl)-4-methylaniline is 298.13 g/mol.
Where can I buy N-(2-(3-(Allylsulfanyl)-6-methyl-1,2,4-triazin-5-yl)vinyl)-4-methylaniline?
You can request a quote for N-(2-(3-(Allylsulfanyl)-6-methyl-1,2,4-triazin-5-yl)vinyl)-4-methylaniline 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-methylaniline?
Yes, KEHONG BIO provides custom synthesis services for N-(2-(3-(Allylsulfanyl)-6-methyl-1,2,4-triazin-5-yl)vinyl)-4-methylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.