2-(Benzylsulfanyl)-5-(4-chlorophenyl)pyrimidine
TL;DR: 2-(Benzylsulfanyl)-5-(4-chlorophenyl)pyrimidine (CAS 344281-67-0) is a chemical compound with molecular formula C17H13ClN2S and molecular weight 312.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-5-(4-chlorophenyl)pyrimidine
Also Known As: 2-(benzylsulfanyl)-5-(4-chlorophenyl)pyrimidine, 2-benzylsulfanyl-5-(4-chlorophenyl)pyrimidine, 7J-596S
| Molecular Formula | C17H13ClN2S |
|---|---|
| Molecular Weight | 312.05 g/mol |
| LogP | 5.0893 |
| Topological Polar Surface Area | 25.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.0488 |
| Heavy Atoms | 21 |
| Complexity | 697.1196 |
Chemical Identifiers
| CAS Number | 344281-67-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NC=C(C=N2)C3=CC=C(C=C3)Cl |
Product Overview
2-(Benzylsulfanyl)-5-(4-chlorophenyl)pyrimidine (CAS 344281-67-0), with molecular formula C17H13ClN2S and molecular weight 312.05 g/mol. IUPAC: 2-benzylsulfanyl-5-(4-chlorophenyl)pyrimidine.
Chemical Property Profile of 2-(Benzylsulfanyl)-5-(4-chlorophenyl)pyrimidine
Property Insights of 2-(Benzylsulfanyl)-5-(4-chlorophenyl)pyrimidine
The XLogP value of 5.0893 indicates that 2-(Benzylsulfanyl)-5-(4-chlorophenyl)pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.78 Ų, 2-(Benzylsulfanyl)-5-(4-chlorophenyl)pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Benzylsulfanyl)-5-(4-chlorophenyl)pyrimidine has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(Benzylsulfanyl)-5-(4-chlorophenyl)pyrimidine?
The CAS number of 2-(Benzylsulfanyl)-5-(4-chlorophenyl)pyrimidine is 344281-67-0.
What is the molecular formula of 2-(Benzylsulfanyl)-5-(4-chlorophenyl)pyrimidine?
The molecular formula of 2-(Benzylsulfanyl)-5-(4-chlorophenyl)pyrimidine is C17H13ClN2S.
What is the molecular weight of 2-(Benzylsulfanyl)-5-(4-chlorophenyl)pyrimidine?
The molecular weight of 2-(Benzylsulfanyl)-5-(4-chlorophenyl)pyrimidine is 312.05 g/mol.
Where can I buy 2-(Benzylsulfanyl)-5-(4-chlorophenyl)pyrimidine?
You can request a quote for 2-(Benzylsulfanyl)-5-(4-chlorophenyl)pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Benzylsulfanyl)-5-(4-chlorophenyl)pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzylsulfanyl)-5-(4-chlorophenyl)pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.