4,6-Bis(benzylsulfanyl)-5-chloropyrimidine
TL;DR: 4,6-Bis(benzylsulfanyl)-5-chloropyrimidine (CAS 6965-68-0) is a chemical compound with molecular formula C18H15ClN2S2 and molecular weight 358.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-bis(benzylsulfanyl)-5-chloropyrimidine
Also Known As: 4,6-bis(benzylsulfanyl)-5-chloropyrimidine, Pyrimidine,5-chloro-4,6-bis[(phenylmethyl)thio]-, 4,6-BIS(BENZYLSULFANYL)-5-CHLORO-PYRIMIDINE
| Molecular Formula | C18H15ClN2S2 |
|---|---|
| Molecular Weight | 358.04 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 76.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 358.03653 |
| Heavy Atoms | 23 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 6965-68-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=C(C(=NC=N2)SCC3=CC=CC=C3)Cl |
| InChIKey | NLEZHNVZIWFZIG-UHFFFAOYSA-N |
Product Overview
4,6-Bis(benzylsulfanyl)-5-chloropyrimidine (CAS 6965-68-0), with molecular formula C18H15ClN2S2 and molecular weight 358.04 g/mol. IUPAC: 4,6-bis(benzylsulfanyl)-5-chloropyrimidine.
Chemical Property Profile of 4,6-Bis(benzylsulfanyl)-5-chloropyrimidine
Property Insights of 4,6-Bis(benzylsulfanyl)-5-chloropyrimidine
The XLogP value of 5.5 indicates that 4,6-Bis(benzylsulfanyl)-5-chloropyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,6-Bis(benzylsulfanyl)-5-chloropyrimidine. Following Lipinski's Rule of Five, 4,6-Bis(benzylsulfanyl)-5-chloropyrimidine 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 4,6-Bis(benzylsulfanyl)-5-chloropyrimidine?
The CAS number of 4,6-Bis(benzylsulfanyl)-5-chloropyrimidine is 6965-68-0.
What is the molecular formula of 4,6-Bis(benzylsulfanyl)-5-chloropyrimidine?
The molecular formula of 4,6-Bis(benzylsulfanyl)-5-chloropyrimidine is C18H15ClN2S2.
What is the molecular weight of 4,6-Bis(benzylsulfanyl)-5-chloropyrimidine?
The molecular weight of 4,6-Bis(benzylsulfanyl)-5-chloropyrimidine is 358.04 g/mol.
Where can I buy 4,6-Bis(benzylsulfanyl)-5-chloropyrimidine?
You can request a quote for 4,6-Bis(benzylsulfanyl)-5-chloropyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-Bis(benzylsulfanyl)-5-chloropyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Bis(benzylsulfanyl)-5-chloropyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.