2L-312S
TL;DR: 2L-312S (CAS 338775-69-2) is a chemical compound with molecular formula C21H21ClN4OS and molecular weight 412.11 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-[(4-methylphenyl)methoxy]ethenamine
Also Known As: 2L-312S, 3-((4-Chlorobenzyl)sulfanyl)-6-methyl-5-(2-(((4-methylbenzyl)oxy)amino)vinyl)-1,2,4-triazine, (E)-2-[3-[(4-chlorophenyl)methylsulfanyl]-6-methyl-1,2,4-triazin-5-yl]-N-[(4-methylphenyl)methoxy]ethenamine, [(E)-2-(3-{[(4-chlorophenyl)methyl]sulfanyl}-6-methyl-1,2,4-triazin-5-yl)ethenyl][(4-methylphenyl)methoxy]amine, N-(2-{3-[(4-chlorobenzyl)sulfanyl]-6-methyl-1,2,4-triazin-5-yl}vinyl)-O-(4-methylbenzyl)hydroxylamine
| Molecular Formula | C21H21ClN4OS |
|---|---|
| Molecular Weight | 412.11 g/mol |
| LogP | 5.12624 |
| Topological Polar Surface Area | 59.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 412.11246 |
| Heavy Atoms | 28 |
| Complexity | 930.14056 |
Chemical Identifiers
| CAS Number | 338775-69-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CON/C=C/C2=C(N=NC(=N2)SCC3=CC=C(C=C3)Cl)C |
Product Overview
2L-312S (CAS 338775-69-2), with molecular formula C21H21ClN4OS and molecular weight 412.11 g/mol. IUPAC: (E)-2-[3-[(4-chlorophenyl)methylsulfanyl]-6-methyl-1,2,4-triazin-5-yl]-N-[(4-methylphenyl)methoxy]ethenamine.
Chemical Property Profile of 2L-312S
Property Insights of 2L-312S
The XLogP value of 5.12624 indicates that 2L-312S 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-312S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2L-312S has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2L-312S?
The CAS number of 2L-312S is 338775-69-2.
What is the molecular formula of 2L-312S?
The molecular formula of 2L-312S is C21H21ClN4OS.
What is the molecular weight of 2L-312S?
The molecular weight of 2L-312S is 412.11 g/mol.
Where can I buy 2L-312S?
You can request a quote for 2L-312S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2L-312S?
Yes, KEHONG BIO provides custom synthesis services for 2L-312S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.