Pyrimidine, 4-ethyl-2-((phenylmethyl)thio)-6-(trifluoromethyl)-
TL;DR: Pyrimidine, 4-ethyl-2-((phenylmethyl)thio)-6-(trifluoromethyl)- (CAS 71445-36-8) is a chemical compound with molecular formula C14H13F3N2S and molecular weight 298.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-4-ethyl-6-(trifluoromethyl)pyrimidine
Also Known As: Pyrimidine, 4-ethyl-2-((phenylmethyl)thio)-6-(trifluoromethyl)-, 2-benzylsulfanyl-4-ethyl-6-(trifluoromethyl)pyrimidine, 2-(benzylsulfanyl)-4-ethyl-6-(trifluoromethyl)pyrimidine, Luteinizing hormone-releasing hormone, diacetate (salt)
| Molecular Formula | C14H13F3N2S |
|---|---|
| Molecular Weight | 298.08 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 51.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 298.07516 |
| Heavy Atoms | 20 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 71445-36-8 |
|---|---|
| SMILES | CCC1=CC(=NC(=N1)SCC2=CC=CC=C2)C(F)(F)F |
| InChIKey | SCKBQBFLXHSSEC-UHFFFAOYSA-N |
Product Overview
Pyrimidine, 4-ethyl-2-((phenylmethyl)thio)-6-(trifluoromethyl)- (CAS 71445-36-8), with molecular formula C14H13F3N2S and molecular weight 298.08 g/mol. IUPAC: 2-benzylsulfanyl-4-ethyl-6-(trifluoromethyl)pyrimidine.
Chemical Property Profile of Pyrimidine, 4-ethyl-2-((phenylmethyl)thio)-6-(trifluoromethyl)-
Property Insights of Pyrimidine, 4-ethyl-2-((phenylmethyl)thio)-6-(trifluoromethyl)-
The XLogP value of 4.3 indicates that Pyrimidine, 4-ethyl-2-((phenylmethyl)thio)-6-(trifluoromethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.1 Ų, Pyrimidine, 4-ethyl-2-((phenylmethyl)thio)-6-(trifluoromethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrimidine, 4-ethyl-2-((phenylmethyl)thio)-6-(trifluoromethyl)- has 0 hydrogen bond donor(s) and 6 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 Pyrimidine, 4-ethyl-2-((phenylmethyl)thio)-6-(trifluoromethyl)-?
The CAS number of Pyrimidine, 4-ethyl-2-((phenylmethyl)thio)-6-(trifluoromethyl)- is 71445-36-8.
What is the molecular formula of Pyrimidine, 4-ethyl-2-((phenylmethyl)thio)-6-(trifluoromethyl)-?
The molecular formula of Pyrimidine, 4-ethyl-2-((phenylmethyl)thio)-6-(trifluoromethyl)- is C14H13F3N2S.
What is the molecular weight of Pyrimidine, 4-ethyl-2-((phenylmethyl)thio)-6-(trifluoromethyl)-?
The molecular weight of Pyrimidine, 4-ethyl-2-((phenylmethyl)thio)-6-(trifluoromethyl)- is 298.08 g/mol.
Where can I buy Pyrimidine, 4-ethyl-2-((phenylmethyl)thio)-6-(trifluoromethyl)-?
You can request a quote for Pyrimidine, 4-ethyl-2-((phenylmethyl)thio)-6-(trifluoromethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrimidine, 4-ethyl-2-((phenylmethyl)thio)-6-(trifluoromethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Pyrimidine, 4-ethyl-2-((phenylmethyl)thio)-6-(trifluoromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.