2-(4-Chloro-benzylsulfanyl)-4,6-dimethyl-pyrimidine
TL;DR: 2-(4-Chloro-benzylsulfanyl)-4,6-dimethyl-pyrimidine (CAS 3569-34-4) is a chemical compound with molecular formula C13H13ClN2S and molecular weight 264.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chlorophenyl)methylsulfanyl]-4,6-dimethylpyrimidine
Also Known As: BAS 01127320, BIM-0035581.P001, 2-(4-Chloro-benzylsulfanyl)-4,6-dimethyl-pyrimidine, 2-[(4-chlorobenzyl)sulfanyl]-4,6-dimethylpyrimidine, AB00099383-01
| Molecular Formula | C13H13ClN2S |
|---|---|
| Molecular Weight | 264.05 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 51.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 264.0488 |
| Heavy Atoms | 17 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 3569-34-4 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)Cl)C |
| InChIKey | KPTJWMRFPUWCMR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-Chloro-benzylsulfanyl)-4,6-dimethyl-pyrimidine (CAS 3569-34-4), with molecular formula C13H13ClN2S and molecular weight 264.05 g/mol. IUPAC: 2-[(4-chlorophenyl)methylsulfanyl]-4,6-dimethylpyrimidine.
Chemical Property Profile of 2-(4-Chloro-benzylsulfanyl)-4,6-dimethyl-pyrimidine
Property Insights of 2-(4-Chloro-benzylsulfanyl)-4,6-dimethyl-pyrimidine
The XLogP value of 4.0 indicates that 2-(4-Chloro-benzylsulfanyl)-4,6-dimethyl-pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.1 Ų, 2-(4-Chloro-benzylsulfanyl)-4,6-dimethyl-pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Chloro-benzylsulfanyl)-4,6-dimethyl-pyrimidine has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(4-Chloro-benzylsulfanyl)-4,6-dimethyl-pyrimidine?
The CAS number of 2-(4-Chloro-benzylsulfanyl)-4,6-dimethyl-pyrimidine is 3569-34-4.
What is the molecular formula of 2-(4-Chloro-benzylsulfanyl)-4,6-dimethyl-pyrimidine?
The molecular formula of 2-(4-Chloro-benzylsulfanyl)-4,6-dimethyl-pyrimidine is C13H13ClN2S.
What is the molecular weight of 2-(4-Chloro-benzylsulfanyl)-4,6-dimethyl-pyrimidine?
The molecular weight of 2-(4-Chloro-benzylsulfanyl)-4,6-dimethyl-pyrimidine is 264.05 g/mol.
Where can I buy 2-(4-Chloro-benzylsulfanyl)-4,6-dimethyl-pyrimidine?
You can request a quote for 2-(4-Chloro-benzylsulfanyl)-4,6-dimethyl-pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Chloro-benzylsulfanyl)-4,6-dimethyl-pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chloro-benzylsulfanyl)-4,6-dimethyl-pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.