5L-531S
TL;DR: 5L-531S (CAS 338960-86-4) is a chemical compound with molecular formula C23H16Cl3N3S2 and molecular weight 502.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-chlorophenyl)methylsulfanylmethyl]-6-(2,4-dichlorophenyl)sulfanyl-2-pyridin-2-ylpyrimidine
Also Known As: 5L-531S, 4-(((4-Chlorobenzyl)sulfanyl)methyl)-6-((2,4-dichlorophenyl)sulfanyl)-2-(2-pyridinyl)pyrimidine, 4-({[(4-chlorophenyl)methyl]sulfanyl}methyl)-6-[(2,4-dichlorophenyl)sulfanyl]-2-(pyridin-2-yl)pyrimidine, 4-[(4-chlorophenyl)methylsulfanylmethyl]-6-(2,4-dichlorophenyl)sulfanyl-2-pyridin-2-ylpyrimidine, 4-[(4-chlorophenyl)methylsulfanylmethyl]-6-(2,4-dichlorophenyl)sulfanyl-2-pyridin-2-yl-pyrimidine
| Molecular Formula | C23H16Cl3N3S2 |
|---|---|
| Molecular Weight | 502.99 g/mol |
| LogP | 8.0834 |
| Topological Polar Surface Area | 38.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 502.98514 |
| Heavy Atoms | 31 |
| Complexity | 1172.5565 |
Chemical Identifiers
| CAS Number | 338960-86-4 |
|---|---|
| SMILES | C1=CC=NC(=C1)C2=NC(=CC(=N2)SC3=C(C=C(C=C3)Cl)Cl)CSCC4=CC=C(C=C4)Cl |
Product Overview
5L-531S (CAS 338960-86-4), with molecular formula C23H16Cl3N3S2 and molecular weight 502.99 g/mol. IUPAC: 4-[(4-chlorophenyl)methylsulfanylmethyl]-6-(2,4-dichlorophenyl)sulfanyl-2-pyridin-2-ylpyrimidine.
Chemical Property Profile of 5L-531S
Property Insights of 5L-531S
The XLogP value of 8.0834 indicates that 5L-531S 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-531S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5L-531S 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-531S?
The CAS number of 5L-531S is 338960-86-4.
What is the molecular formula of 5L-531S?
The molecular formula of 5L-531S is C23H16Cl3N3S2.
What is the molecular weight of 5L-531S?
The molecular weight of 5L-531S is 502.99 g/mol.
Where can I buy 5L-531S?
You can request a quote for 5L-531S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5L-531S?
Yes, KEHONG BIO provides custom synthesis services for 5L-531S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.