2L-313S
TL;DR: 2L-313S (CAS 338775-71-6) is a chemical compound with molecular formula C20H18ClFN4OS and molecular weight 416.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-[3-[(4-chlorophenyl)methylsulfanyl]-6-methyl-1,2,4-triazin-5-yl]-N-[(3-fluorophenyl)methoxy]ethenamine
Also Known As: 2L-313S, 3-((4-Chlorobenzyl)sulfanyl)-5-(2-(((3-fluorobenzyl)oxy)amino)vinyl)-6-methyl-1,2,4-triazine, (E)-2-[3-[(4-chlorophenyl)methylsulfanyl]-6-methyl-1,2,4-triazin-5-yl]-N-[(3-fluorophenyl)methoxy]ethenamine, [(E)-2-(3-{[(4-chlorophenyl)methyl]sulfanyl}-6-methyl-1,2,4-triazin-5-yl)ethenyl][(3-fluorophenyl)methoxy]amine, N-(2-{3-[(4-chlorobenzyl)sulfanyl]-6-methyl-1,2,4-triazin-5-yl}vinyl)-O-(3-fluorobenzyl)hydroxylamine
| Molecular Formula | C20H18ClFN4OS |
|---|---|
| Molecular Weight | 416.09 g/mol |
| LogP | 4.95692 |
| Topological Polar Surface Area | 59.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 416.0874 |
| Heavy Atoms | 28 |
| Complexity | 953.1907 |
Chemical Identifiers
| CAS Number | 338775-71-6 |
|---|---|
| SMILES | CC1=C(N=C(N=N1)SCC2=CC=C(C=C2)Cl)/C=C/NOCC3=CC(=CC=C3)F |
Product Overview
2L-313S (CAS 338775-71-6), with molecular formula C20H18ClFN4OS and molecular weight 416.09 g/mol. IUPAC: (E)-2-[3-[(4-chlorophenyl)methylsulfanyl]-6-methyl-1,2,4-triazin-5-yl]-N-[(3-fluorophenyl)methoxy]ethenamine.
Chemical Property Profile of 2L-313S
Property Insights of 2L-313S
The XLogP value of 4.95692 indicates that 2L-313S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.93 Ų, 2L-313S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2L-313S 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 2L-313S?
The CAS number of 2L-313S is 338775-71-6.
What is the molecular formula of 2L-313S?
The molecular formula of 2L-313S is C20H18ClFN4OS.
What is the molecular weight of 2L-313S?
The molecular weight of 2L-313S is 416.09 g/mol.
Where can I buy 2L-313S?
You can request a quote for 2L-313S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2L-313S?
Yes, KEHONG BIO provides custom synthesis services for 2L-313S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.