4-(2-chloro-4-fluorostyryl)-6,6-dimethyl-2-(methylsulfanyl)-1,6-dihydropyrimidine
TL;DR: 4-(2-chloro-4-fluorostyryl)-6,6-dimethyl-2-(methylsulfanyl)-1,6-dihydropyrimidine (CAS 303148-79-0) is a chemical compound with molecular formula C15H16ClFN2S and molecular weight 310.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[2-(2-chloro-4-fluorophenyl)ethenyl]-4,4-dimethyl-2-methylsulfanyl-1H-pyrimidine
Also Known As: 4-(2-chloro-4-fluorostyryl)-6,6-dimethyl-2-(methylsulfanyl)-1,6-dihydropyrimidine, 6-[2-(2-chloro-4-fluorophenyl)ethenyl]-4,4-dimethyl-2-methylsulfanyl-1H-pyrimidine
| Molecular Formula | C15H16ClFN2S |
|---|---|
| Molecular Weight | 310.07 g/mol |
| LogP | 4.477 |
| Topological Polar Surface Area | 24.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 310.07068 |
| Heavy Atoms | 20 |
| Complexity | 605.8911 |
Chemical Identifiers
| CAS Number | 303148-79-0 |
|---|---|
| SMILES | CC1(C=C(NC(=N1)SC)C=CC2=C(C=C(C=C2)F)Cl)C |
Product Overview
4-(2-chloro-4-fluorostyryl)-6,6-dimethyl-2-(methylsulfanyl)-1,6-dihydropyrimidine (CAS 303148-79-0), with molecular formula C15H16ClFN2S and molecular weight 310.07 g/mol. IUPAC: 6-[2-(2-chloro-4-fluorophenyl)ethenyl]-4,4-dimethyl-2-methylsulfanyl-1H-pyrimidine.
Chemical Property Profile of 4-(2-chloro-4-fluorostyryl)-6,6-dimethyl-2-(methylsulfanyl)-1,6-dihydropyrimidine
Property Insights of 4-(2-chloro-4-fluorostyryl)-6,6-dimethyl-2-(methylsulfanyl)-1,6-dihydropyrimidine
The XLogP value of 4.477 indicates that 4-(2-chloro-4-fluorostyryl)-6,6-dimethyl-2-(methylsulfanyl)-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-(2-chloro-4-fluorostyryl)-6,6-dimethyl-2-(methylsulfanyl)-1,6-dihydropyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-chloro-4-fluorostyryl)-6,6-dimethyl-2-(methylsulfanyl)-1,6-dihydropyrimidine has 1 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 4-(2-chloro-4-fluorostyryl)-6,6-dimethyl-2-(methylsulfanyl)-1,6-dihydropyrimidine?
The CAS number of 4-(2-chloro-4-fluorostyryl)-6,6-dimethyl-2-(methylsulfanyl)-1,6-dihydropyrimidine is 303148-79-0.
What is the molecular formula of 4-(2-chloro-4-fluorostyryl)-6,6-dimethyl-2-(methylsulfanyl)-1,6-dihydropyrimidine?
The molecular formula of 4-(2-chloro-4-fluorostyryl)-6,6-dimethyl-2-(methylsulfanyl)-1,6-dihydropyrimidine is C15H16ClFN2S.
What is the molecular weight of 4-(2-chloro-4-fluorostyryl)-6,6-dimethyl-2-(methylsulfanyl)-1,6-dihydropyrimidine?
The molecular weight of 4-(2-chloro-4-fluorostyryl)-6,6-dimethyl-2-(methylsulfanyl)-1,6-dihydropyrimidine is 310.07 g/mol.
Where can I buy 4-(2-chloro-4-fluorostyryl)-6,6-dimethyl-2-(methylsulfanyl)-1,6-dihydropyrimidine?
You can request a quote for 4-(2-chloro-4-fluorostyryl)-6,6-dimethyl-2-(methylsulfanyl)-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-(2-chloro-4-fluorostyryl)-6,6-dimethyl-2-(methylsulfanyl)-1,6-dihydropyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-chloro-4-fluorostyryl)-6,6-dimethyl-2-(methylsulfanyl)-1,6-dihydropyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.