5L-517S
TL;DR: 5L-517S (CAS 338960-77-3) is a chemical compound with molecular formula C20H17F3N2OS and molecular weight 390.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(methoxymethyl)-2-phenyl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine
Also Known As: 5L-517S, methyl (2-phenyl-6-{[3-(trifluoromethyl)benzyl]sulfanyl}-4-pyrimidinyl)methyl ether, 4-(methoxymethyl)-2-phenyl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine, 4-(methoxymethyl)-2-phenyl-6-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)pyrimidine
| Molecular Formula | C20H17F3N2OS |
|---|---|
| Molecular Weight | 390.10 g/mol |
| LogP | 5.6011 |
| Topological Polar Surface Area | 35.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 390.10138 |
| Heavy Atoms | 27 |
| Complexity | 901.2287 |
Chemical Identifiers
| CAS Number | 338960-77-3 |
|---|---|
| SMILES | COCC1=CC(=NC(=N1)C2=CC=CC=C2)SCC3=CC(=CC=C3)C(F)(F)F |
Product Overview
5L-517S (CAS 338960-77-3), with molecular formula C20H17F3N2OS and molecular weight 390.10 g/mol. IUPAC: 4-(methoxymethyl)-2-phenyl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine.
Chemical Property Profile of 5L-517S
Property Insights of 5L-517S
The XLogP value of 5.6011 indicates that 5L-517S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.01 Ų, 5L-517S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5L-517S has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5L-517S?
The CAS number of 5L-517S is 338960-77-3.
What is the molecular formula of 5L-517S?
The molecular formula of 5L-517S is C20H17F3N2OS.
What is the molecular weight of 5L-517S?
The molecular weight of 5L-517S is 390.10 g/mol.
Where can I buy 5L-517S?
You can request a quote for 5L-517S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5L-517S?
Yes, KEHONG BIO provides custom synthesis services for 5L-517S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.