1L-418S
TL;DR: 1L-418S (CAS 477866-63-0) is a chemical compound with molecular formula C20H19FN4OS and molecular weight 382.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-(3-benzylsulfanyl-6-methyl-1,2,4-triazin-5-yl)-N-[(4-fluorophenyl)methoxy]ethenamine
Also Known As: 1L-418S, (E)-2-(3-benzylsulfanyl-6-methyl-1,2,4-triazin-5-yl)-N-[(4-fluorophenyl)methoxy]ethenamine, 3-(Benzylsulfanyl)-5-(2-(((4-fluorobenzyl)oxy)amino)vinyl)-6-methyl-1,2,4-triazine, [(E)-2-[3-(benzylsulfanyl)-6-methyl-1,2,4-triazin-5-yl]ethenyl][(4-fluorophenyl)methoxy]amine, N-{2-[3-(benzylsulfanyl)-6-methyl-1,2,4-triazin-5-yl]vinyl}-O-(4-fluorobenzyl)hydroxylamine
| Molecular Formula | C20H19FN4OS |
|---|---|
| Molecular Weight | 382.13 g/mol |
| LogP | 4.30352 |
| Topological Polar Surface Area | 59.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 382.12637 |
| Heavy Atoms | 27 |
| Complexity | 888.24335 |
Chemical Identifiers
| CAS Number | 477866-63-0 |
|---|---|
| SMILES | CC1=C(N=C(N=N1)SCC2=CC=CC=C2)/C=C/NOCC3=CC=C(C=C3)F |
Product Overview
1L-418S (CAS 477866-63-0), with molecular formula C20H19FN4OS and molecular weight 382.13 g/mol. IUPAC: (E)-2-(3-benzylsulfanyl-6-methyl-1,2,4-triazin-5-yl)-N-[(4-fluorophenyl)methoxy]ethenamine.
Chemical Property Profile of 1L-418S
Property Insights of 1L-418S
The XLogP value of 4.30352 indicates that 1L-418S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.93 Ų, 1L-418S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1L-418S 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 1L-418S?
The CAS number of 1L-418S is 477866-63-0.
What is the molecular formula of 1L-418S?
The molecular formula of 1L-418S is C20H19FN4OS.
What is the molecular weight of 1L-418S?
The molecular weight of 1L-418S is 382.13 g/mol.
Where can I buy 1L-418S?
You can request a quote for 1L-418S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1L-418S?
Yes, KEHONG BIO provides custom synthesis services for 1L-418S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.