3-(2-chloroethyl)-6-methyl-2-(methylsulfanyl)-4(3H)-pyrimidinone
TL;DR: 3-(2-chloroethyl)-6-methyl-2-(methylsulfanyl)-4(3H)-pyrimidinone (CAS 369395-22-2) is a chemical compound with molecular formula C8H11ClN2OS and molecular weight 218.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chloroethyl)-6-methyl-2-methylsulfanylpyrimidin-4-one
Also Known As: 3-(2-chloroethyl)-6-methyl-2-(methylsulfanyl)-4(3H)-pyrimidinone, 3-(2-chloroethyl)-6-methyl-2-methylsulfanylpyrimidin-4-one, AL-281/15644007, 3-(2-Chloroethyl)-6-methyl-2-(methylthio)-4(3H)-pyrimidinone, 3-(2-Chloroethyl)-6-methyl-2-(methylthio)pyrimidin-4(3H)-one
| Molecular Formula | C8H11ClN2OS |
|---|---|
| Molecular Weight | 218.03 g/mol |
| LogP | 1.51242 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.02806 |
| Heavy Atoms | 13 |
| Complexity | 350.48752 |
Chemical Identifiers
| CAS Number | 369395-22-2 |
|---|---|
| SMILES | CC1=CC(=O)N(C(=N1)SC)CCCl |
Product Overview
3-(2-chloroethyl)-6-methyl-2-(methylsulfanyl)-4(3H)-pyrimidinone (CAS 369395-22-2), with molecular formula C8H11ClN2OS and molecular weight 218.03 g/mol. IUPAC: 3-(2-chloroethyl)-6-methyl-2-methylsulfanylpyrimidin-4-one.
Chemical Property Profile of 3-(2-chloroethyl)-6-methyl-2-(methylsulfanyl)-4(3H)-pyrimidinone
Property Insights of 3-(2-chloroethyl)-6-methyl-2-(methylsulfanyl)-4(3H)-pyrimidinone
The XLogP value of 1.51242 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-chloroethyl)-6-methyl-2-(methylsulfanyl)-4(3H)-pyrimidinone. With a topological polar surface area (TPSA) of 34.89 Ų, 3-(2-chloroethyl)-6-methyl-2-(methylsulfanyl)-4(3H)-pyrimidinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-chloroethyl)-6-methyl-2-(methylsulfanyl)-4(3H)-pyrimidinone 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 3-(2-chloroethyl)-6-methyl-2-(methylsulfanyl)-4(3H)-pyrimidinone?
The CAS number of 3-(2-chloroethyl)-6-methyl-2-(methylsulfanyl)-4(3H)-pyrimidinone is 369395-22-2.
What is the molecular formula of 3-(2-chloroethyl)-6-methyl-2-(methylsulfanyl)-4(3H)-pyrimidinone?
The molecular formula of 3-(2-chloroethyl)-6-methyl-2-(methylsulfanyl)-4(3H)-pyrimidinone is C8H11ClN2OS.
What is the molecular weight of 3-(2-chloroethyl)-6-methyl-2-(methylsulfanyl)-4(3H)-pyrimidinone?
The molecular weight of 3-(2-chloroethyl)-6-methyl-2-(methylsulfanyl)-4(3H)-pyrimidinone is 218.03 g/mol.
Where can I buy 3-(2-chloroethyl)-6-methyl-2-(methylsulfanyl)-4(3H)-pyrimidinone?
You can request a quote for 3-(2-chloroethyl)-6-methyl-2-(methylsulfanyl)-4(3H)-pyrimidinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-chloroethyl)-6-methyl-2-(methylsulfanyl)-4(3H)-pyrimidinone?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-chloroethyl)-6-methyl-2-(methylsulfanyl)-4(3H)-pyrimidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.