1L-391S
TL;DR: 1L-391S (CAS 477866-49-2) is a chemical compound with molecular formula C20H17F3N4S and molecular weight 402.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-2-(3-benzylsulfanyl-6-methyl-1,2,4-triazin-5-yl)ethenyl]-3-(trifluoromethyl)aniline
Also Known As: 1L-391S, N-(2-(3-(Benzylsulfanyl)-6-methyl-1,2,4-triazin-5-yl)vinyl)-3-(trifluoromethyl)aniline, N-[(E)-2-(3-benzylsulfanyl-6-methyl-1,2,4-triazin-5-yl)ethenyl]-3-(trifluoromethyl)aniline, N-[(E)-2-[3-(benzylsulfanyl)-6-methyl-1,2,4-triazin-5-yl]ethenyl]-3-(trifluoromethyl)aniline, N-{2-[3-(benzylsulfanyl)-6-methyl-1,2,4-triazin-5-yl]vinyl}-3-(trifluoromethyl)aniline
| Molecular Formula | C20H17F3N4S |
|---|---|
| Molecular Weight | 402.11 g/mol |
| LogP | 5.57392 |
| Topological Polar Surface Area | 50.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 402.1126 |
| Heavy Atoms | 28 |
| Complexity | 959.1647 |
Chemical Identifiers
| CAS Number | 477866-49-2 |
|---|---|
| SMILES | CC1=C(N=C(N=N1)SCC2=CC=CC=C2)/C=C/NC3=CC=CC(=C3)C(F)(F)F |
Product Overview
1L-391S (CAS 477866-49-2), with molecular formula C20H17F3N4S and molecular weight 402.11 g/mol. IUPAC: N-[(E)-2-(3-benzylsulfanyl-6-methyl-1,2,4-triazin-5-yl)ethenyl]-3-(trifluoromethyl)aniline.
Chemical Property Profile of 1L-391S
Property Insights of 1L-391S
The XLogP value of 5.57392 indicates that 1L-391S 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-391S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1L-391S 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-391S?
The CAS number of 1L-391S is 477866-49-2.
What is the molecular formula of 1L-391S?
The molecular formula of 1L-391S is C20H17F3N4S.
What is the molecular weight of 1L-391S?
The molecular weight of 1L-391S is 402.11 g/mol.
Where can I buy 1L-391S?
You can request a quote for 1L-391S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1L-391S?
Yes, KEHONG BIO provides custom synthesis services for 1L-391S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.