![2-[2-(4-Chloro-phenylmethanesulfinyl)-ethylsulfanyl]-4,6-dimethyl-pyrimidine structure](/static/products/459/459155-31-8.png)
2-[2-(4-Chloro-phenylmethanesulfinyl)-ethylsulfanyl]-4,6-dimethyl-pyrimidine
TL;DR: 2-[2-(4-Chloro-phenylmethanesulfinyl)-ethylsulfanyl]-4,6-dimethyl-pyrimidine (CAS 459155-31-8) is a chemical compound with molecular formula C15H17ClN2OS2 and molecular weight 340.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[(4-chlorophenyl)methylsulfinyl]ethylsulfanyl]-4,6-dimethylpyrimidine
Also Known As: ChemDiv3_002860, BAS 03395671, BRD-A14058953-001-01-4, 2-((2-((4-chlorobenzyl)sulfinyl)ethyl)thio)-4,6-dimethylpyrimidine, 2-({2-[(4-chlorobenzyl)sulfinyl]ethyl}sulfanyl)-4,6-dimethylpyrimidine
| Molecular Formula | C15H17ClN2OS2 |
|---|---|
| Molecular Weight | 340.05 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 87.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 340.0471 |
| Heavy Atoms | 21 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 459155-31-8 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SCCS(=O)CC2=CC=C(C=C2)Cl)C |
| InChIKey | PKXHLEFJHRCLRS-UHFFFAOYSA-N |
Product Overview
2-[2-(4-Chloro-phenylmethanesulfinyl)-ethylsulfanyl]-4,6-dimethyl-pyrimidine (CAS 459155-31-8), with molecular formula C15H17ClN2OS2 and molecular weight 340.05 g/mol. IUPAC: 2-[2-[(4-chlorophenyl)methylsulfinyl]ethylsulfanyl]-4,6-dimethylpyrimidine.
Chemical Property Profile of 2-[2-(4-Chloro-phenylmethanesulfinyl)-ethylsulfanyl]-4,6-dimethyl-pyrimidine
Property Insights of 2-[2-(4-Chloro-phenylmethanesulfinyl)-ethylsulfanyl]-4,6-dimethyl-pyrimidine
The XLogP value of 3.2 indicates that 2-[2-(4-Chloro-phenylmethanesulfinyl)-ethylsulfanyl]-4,6-dimethyl-pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-(4-Chloro-phenylmethanesulfinyl)-ethylsulfanyl]-4,6-dimethyl-pyrimidine. Following Lipinski's Rule of Five, 2-[2-(4-Chloro-phenylmethanesulfinyl)-ethylsulfanyl]-4,6-dimethyl-pyrimidine has 0 hydrogen bond donor(s) and 5 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-[2-(4-Chloro-phenylmethanesulfinyl)-ethylsulfanyl]-4,6-dimethyl-pyrimidine?
The CAS number of 2-[2-(4-Chloro-phenylmethanesulfinyl)-ethylsulfanyl]-4,6-dimethyl-pyrimidine is 459155-31-8.
What is the molecular formula of 2-[2-(4-Chloro-phenylmethanesulfinyl)-ethylsulfanyl]-4,6-dimethyl-pyrimidine?
The molecular formula of 2-[2-(4-Chloro-phenylmethanesulfinyl)-ethylsulfanyl]-4,6-dimethyl-pyrimidine is C15H17ClN2OS2.
What is the molecular weight of 2-[2-(4-Chloro-phenylmethanesulfinyl)-ethylsulfanyl]-4,6-dimethyl-pyrimidine?
The molecular weight of 2-[2-(4-Chloro-phenylmethanesulfinyl)-ethylsulfanyl]-4,6-dimethyl-pyrimidine is 340.05 g/mol.
Where can I buy 2-[2-(4-Chloro-phenylmethanesulfinyl)-ethylsulfanyl]-4,6-dimethyl-pyrimidine?
You can request a quote for 2-[2-(4-Chloro-phenylmethanesulfinyl)-ethylsulfanyl]-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-[2-(4-Chloro-phenylmethanesulfinyl)-ethylsulfanyl]-4,6-dimethyl-pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-(4-Chloro-phenylmethanesulfinyl)-ethylsulfanyl]-4,6-dimethyl-pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.