1L-409S
TL;DR: 1L-409S (CAS 477866-58-3) is a chemical compound with molecular formula C19H16Cl2N4S and molecular weight 402.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-[(E)-2-[3-[(4-chlorophenyl)methylsulfanyl]-6-methyl-1,2,4-triazin-5-yl]ethenyl]aniline
Also Known As: 1L-409S, 4-Chloro-N-(2-(3-((4-chlorobenzyl)sulfanyl)-6-methyl-1,2,4-triazin-5-yl)vinyl)aniline, 4-chloro-N-[(E)-2-(3-{[(4-chlorophenyl)methyl]sulfanyl}-6-methyl-1,2,4-triazin-5-yl)ethenyl]aniline, 4-chloro-N-[(E)-2-[3-[(4-chlorophenyl)methylsulfanyl]-6-methyl-1,2,4-triazin-5-yl]ethenyl]aniline, 4-chloro-N-(2-{3-[(4-chlorobenzyl)sulfanyl]-6-methyl-1,2,4-triazin-5-yl}vinyl)aniline
| Molecular Formula | C19H16Cl2N4S |
|---|---|
| Molecular Weight | 402.05 g/mol |
| LogP | 5.86192 |
| Topological Polar Surface Area | 50.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 402.04727 |
| Heavy Atoms | 26 |
| Complexity | 896.4176 |
Chemical Identifiers
| CAS Number | 477866-58-3 |
|---|---|
| SMILES | CC1=C(N=C(N=N1)SCC2=CC=C(C=C2)Cl)/C=C/NC3=CC=C(C=C3)Cl |
Product Overview
1L-409S (CAS 477866-58-3), with molecular formula C19H16Cl2N4S and molecular weight 402.05 g/mol. IUPAC: 4-chloro-N-[(E)-2-[3-[(4-chlorophenyl)methylsulfanyl]-6-methyl-1,2,4-triazin-5-yl]ethenyl]aniline.
Chemical Property Profile of 1L-409S
Property Insights of 1L-409S
The XLogP value of 5.86192 indicates that 1L-409S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.7 Ų, 1L-409S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1L-409S has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1L-409S?
The CAS number of 1L-409S is 477866-58-3.
What is the molecular formula of 1L-409S?
The molecular formula of 1L-409S is C19H16Cl2N4S.
What is the molecular weight of 1L-409S?
The molecular weight of 1L-409S is 402.05 g/mol.
Where can I buy 1L-409S?
You can request a quote for 1L-409S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1L-409S?
Yes, KEHONG BIO provides custom synthesis services for 1L-409S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.