![5-Bromo-4-chloro-2-[(4-chlorophenyl)methylsulfanyl]pyrimidine structure](/static/products/103/103854-52-0.png)
5-Bromo-4-chloro-2-[(4-chlorophenyl)methylsulfanyl]pyrimidine
TL;DR: 5-Bromo-4-chloro-2-[(4-chlorophenyl)methylsulfanyl]pyrimidine (CAS 103854-52-0) is a chemical compound with molecular formula C11H7BrCl2N2S and molecular weight 347.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-4-chloro-2-[(4-chlorophenyl)methylsulfanyl]pyrimidine
Also Known As: 5-bromo-4-chloro-2-(4-chloro-benzylsulfanyl)-pyrimidine, 5-bromo-4-chloro-2-[(4-chlorobenzyl)sulfanyl]pyrimidine, 5-bromo-4-chloro-2-[(4-chlorophenyl)methylsulfanyl]pyrimidine
| Molecular Formula | C11H7BrCl2N2S |
|---|---|
| Molecular Weight | 347.89 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 51.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 347.88904 |
| Heavy Atoms | 17 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 103854-52-0 |
|---|---|
| SMILES | C1=CC(=CC=C1CSC2=NC=C(C(=N2)Cl)Br)Cl |
| InChIKey | WBKNFXPEPWSRRY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Bromo-4-chloro-2-[(4-chlorophenyl)methylsulfanyl]pyrimidine (CAS 103854-52-0), with molecular formula C11H7BrCl2N2S and molecular weight 347.89 g/mol. IUPAC: 5-bromo-4-chloro-2-[(4-chlorophenyl)methylsulfanyl]pyrimidine.
Chemical Property Profile of 5-Bromo-4-chloro-2-[(4-chlorophenyl)methylsulfanyl]pyrimidine
Property Insights of 5-Bromo-4-chloro-2-[(4-chlorophenyl)methylsulfanyl]pyrimidine
The XLogP value of 4.8 indicates that 5-Bromo-4-chloro-2-[(4-chlorophenyl)methylsulfanyl]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, 5-Bromo-4-chloro-2-[(4-chlorophenyl)methylsulfanyl]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromo-4-chloro-2-[(4-chlorophenyl)methylsulfanyl]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 5-Bromo-4-chloro-2-[(4-chlorophenyl)methylsulfanyl]pyrimidine?
The CAS number of 5-Bromo-4-chloro-2-[(4-chlorophenyl)methylsulfanyl]pyrimidine is 103854-52-0.
What is the molecular formula of 5-Bromo-4-chloro-2-[(4-chlorophenyl)methylsulfanyl]pyrimidine?
The molecular formula of 5-Bromo-4-chloro-2-[(4-chlorophenyl)methylsulfanyl]pyrimidine is C11H7BrCl2N2S.
What is the molecular weight of 5-Bromo-4-chloro-2-[(4-chlorophenyl)methylsulfanyl]pyrimidine?
The molecular weight of 5-Bromo-4-chloro-2-[(4-chlorophenyl)methylsulfanyl]pyrimidine is 347.89 g/mol.
Where can I buy 5-Bromo-4-chloro-2-[(4-chlorophenyl)methylsulfanyl]pyrimidine?
You can request a quote for 5-Bromo-4-chloro-2-[(4-chlorophenyl)methylsulfanyl]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-4-chloro-2-[(4-chlorophenyl)methylsulfanyl]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-4-chloro-2-[(4-chlorophenyl)methylsulfanyl]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.