5L-516S
TL;DR: 5L-516S (CAS 338960-76-2) is a chemical compound with molecular formula C25H21ClN2OS2 and molecular weight 464.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-chlorophenyl)methylsulfanylmethyl]-6-(4-methoxyphenyl)sulfanyl-2-phenylpyrimidine
Also Known As: 5L-516S, 4-(((4-Chlorobenzyl)sulfanyl)methyl)-6-((4-methoxyphenyl)sulfanyl)-2-phenylpyrimidine, 4-[(4-chlorophenyl)methylsulfanylmethyl]-6-(4-methoxyphenyl)sulfanyl-2-phenylpyrimidine, 4-({[(4-chlorophenyl)methyl]sulfanyl}methyl)-6-[(4-methoxyphenyl)sulfanyl]-2-phenylpyrimidine, 4-[(4-chlorophenyl)methylsulfanylmethyl]-6-(4-methoxyphenyl)sulfanyl-2-phenyl-pyrimidine
| Molecular Formula | C25H21ClN2OS2 |
|---|---|
| Molecular Weight | 464.08 g/mol |
| LogP | 7.3902 |
| Topological Polar Surface Area | 35.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 464.07837 |
| Heavy Atoms | 31 |
| Complexity | 1120.5894 |
Chemical Identifiers
| CAS Number | 338960-76-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)SC2=NC(=NC(=C2)CSCC3=CC=C(C=C3)Cl)C4=CC=CC=C4 |
Product Overview
5L-516S (CAS 338960-76-2), with molecular formula C25H21ClN2OS2 and molecular weight 464.08 g/mol. IUPAC: 4-[(4-chlorophenyl)methylsulfanylmethyl]-6-(4-methoxyphenyl)sulfanyl-2-phenylpyrimidine.
Chemical Property Profile of 5L-516S
Property Insights of 5L-516S
The XLogP value of 7.3902 indicates that 5L-516S 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-516S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5L-516S 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-516S?
The CAS number of 5L-516S is 338960-76-2.
What is the molecular formula of 5L-516S?
The molecular formula of 5L-516S is C25H21ClN2OS2.
What is the molecular weight of 5L-516S?
The molecular weight of 5L-516S is 464.08 g/mol.
Where can I buy 5L-516S?
You can request a quote for 5L-516S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5L-516S?
Yes, KEHONG BIO provides custom synthesis services for 5L-516S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.