4-(Chloromethyl)-2-(methylsulfanyl)-5-(phenylsulfanyl)-1,6-dihydropyrimidine
TL;DR: 4-(Chloromethyl)-2-(methylsulfanyl)-5-(phenylsulfanyl)-1,6-dihydropyrimidine (CAS 750515-91-4) is a chemical compound with molecular formula C12H13ClN2S2 and molecular weight 284.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(chloromethyl)-2-methylsulfanyl-5-phenylsulfanyl-1,4-dihydropyrimidine
Also Known As: 4-(chloromethyl)-2-(methylsulfanyl)-5-(phenylsulfanyl)-1,6-dihydropyrimidine, AE-641/25069004, 6-(chloromethyl)-2-methylsulfanyl-5-phenylsulfanyl-1,4-dihydropyrimidine, 4-(Chloromethyl)-2-(methylthio)-5-(phenylthio)-1,6-dihydropyrimidine
| Molecular Formula | C12H13ClN2S2 |
|---|---|
| Molecular Weight | 284.02 g/mol |
| LogP | 3.5513 |
| Topological Polar Surface Area | 24.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 284.02087 |
| Heavy Atoms | 17 |
| Complexity | 443.07867 |
Chemical Identifiers
| CAS Number | 750515-91-4 |
|---|---|
| SMILES | CSC1=NCC(=C(N1)CCl)SC2=CC=CC=C2 |
Product Overview
4-(Chloromethyl)-2-(methylsulfanyl)-5-(phenylsulfanyl)-1,6-dihydropyrimidine (CAS 750515-91-4), with molecular formula C12H13ClN2S2 and molecular weight 284.02 g/mol. IUPAC: 6-(chloromethyl)-2-methylsulfanyl-5-phenylsulfanyl-1,4-dihydropyrimidine.
Chemical Property Profile of 4-(Chloromethyl)-2-(methylsulfanyl)-5-(phenylsulfanyl)-1,6-dihydropyrimidine
Property Insights of 4-(Chloromethyl)-2-(methylsulfanyl)-5-(phenylsulfanyl)-1,6-dihydropyrimidine
The XLogP value of 3.5513 indicates that 4-(Chloromethyl)-2-(methylsulfanyl)-5-(phenylsulfanyl)-1,6-dihydropyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.39 Ų, 4-(Chloromethyl)-2-(methylsulfanyl)-5-(phenylsulfanyl)-1,6-dihydropyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Chloromethyl)-2-(methylsulfanyl)-5-(phenylsulfanyl)-1,6-dihydropyrimidine has 1 hydrogen bond donor(s) and 4 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 4-(Chloromethyl)-2-(methylsulfanyl)-5-(phenylsulfanyl)-1,6-dihydropyrimidine?
The CAS number of 4-(Chloromethyl)-2-(methylsulfanyl)-5-(phenylsulfanyl)-1,6-dihydropyrimidine is 750515-91-4.
What is the molecular formula of 4-(Chloromethyl)-2-(methylsulfanyl)-5-(phenylsulfanyl)-1,6-dihydropyrimidine?
The molecular formula of 4-(Chloromethyl)-2-(methylsulfanyl)-5-(phenylsulfanyl)-1,6-dihydropyrimidine is C12H13ClN2S2.
What is the molecular weight of 4-(Chloromethyl)-2-(methylsulfanyl)-5-(phenylsulfanyl)-1,6-dihydropyrimidine?
The molecular weight of 4-(Chloromethyl)-2-(methylsulfanyl)-5-(phenylsulfanyl)-1,6-dihydropyrimidine is 284.02 g/mol.
Where can I buy 4-(Chloromethyl)-2-(methylsulfanyl)-5-(phenylsulfanyl)-1,6-dihydropyrimidine?
You can request a quote for 4-(Chloromethyl)-2-(methylsulfanyl)-5-(phenylsulfanyl)-1,6-dihydropyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Chloromethyl)-2-(methylsulfanyl)-5-(phenylsulfanyl)-1,6-dihydropyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4-(Chloromethyl)-2-(methylsulfanyl)-5-(phenylsulfanyl)-1,6-dihydropyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.