5L-548S
TL;DR: 5L-548S (CAS 338961-01-6) is a chemical compound with molecular formula C23H17ClFN3S2 and molecular weight 453.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-chlorophenyl)methylsulfanylmethyl]-6-(4-fluorophenyl)sulfanyl-2-pyridin-2-ylpyrimidine
Also Known As: 5L-548S, 4-(((4-Chlorobenzyl)sulfanyl)methyl)-6-((4-fluorophenyl)sulfanyl)-2-(2-pyridinyl)pyrimidine, 4-[(4-chlorophenyl)methylsulfanylmethyl]-6-(4-fluorophenyl)sulfanyl-2-pyridin-2-ylpyrimidine, 4-({[(4-chlorophenyl)methyl]sulfanyl}methyl)-6-[(4-fluorophenyl)sulfanyl]-2-(pyridin-2-yl)pyrimidine, 4-chlorobenzyl [6-[(4-fluorophenyl)sulfanyl]-2-(2-pyridinyl)-4-pyrimidinyl]methyl sulfide
| Molecular Formula | C23H17ClFN3S2 |
|---|---|
| Molecular Weight | 453.05 g/mol |
| LogP | 6.9157 |
| Topological Polar Surface Area | 38.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 453.05365 |
| Heavy Atoms | 30 |
| Complexity | 1107.5989 |
Chemical Identifiers
| CAS Number | 338961-01-6 |
|---|---|
| SMILES | C1=CC=NC(=C1)C2=NC(=CC(=N2)SC3=CC=C(C=C3)F)CSCC4=CC=C(C=C4)Cl |
Product Overview
5L-548S (CAS 338961-01-6), with molecular formula C23H17ClFN3S2 and molecular weight 453.05 g/mol. IUPAC: 4-[(4-chlorophenyl)methylsulfanylmethyl]-6-(4-fluorophenyl)sulfanyl-2-pyridin-2-ylpyrimidine.
Chemical Property Profile of 5L-548S
Property Insights of 5L-548S
The XLogP value of 6.9157 indicates that 5L-548S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.67 Ų, 5L-548S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5L-548S has 0 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 5L-548S?
The CAS number of 5L-548S is 338961-01-6.
What is the molecular formula of 5L-548S?
The molecular formula of 5L-548S is C23H17ClFN3S2.
What is the molecular weight of 5L-548S?
The molecular weight of 5L-548S is 453.05 g/mol.
Where can I buy 5L-548S?
You can request a quote for 5L-548S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5L-548S?
Yes, KEHONG BIO provides custom synthesis services for 5L-548S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.