RefChem:283718
TL;DR: RefChem:283718 (CAS 89069-58-9) is a chemical compound with molecular formula C18H13F3N2OS and molecular weight 362.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-3-[2-(trifluoromethyl)phenyl]pyrimidin-4-one
Also Known As: 2-((Phenylmethyl)thio)-3-(2-(trifluoromethyl)phenyl)-4(3H)-pyrimidinone, 4(3H)-Pyrimidinone, 2-((phenylmethyl)thio)-3-(2-(trifluoromethyl)phenyl)- trihydrochloride, 2-benzylsulfanyl-3-[2-(trifluoromethyl)phenyl]pyrimidin-4-one, 4(3H)-Pyrimidinone, 2-((phenylmethyl)thio)-3-(2-(trifluoromethyl)phenyl)-trihydrochloride, 2-(Benzylsulfanyl)-3-[2-(trifluoromethyl)phenyl]pyrimidin-4(3H)-one
| Molecular Formula | C18H13F3N2OS |
|---|---|
| Molecular Weight | 362.07 g/mol |
| LogP | 4.5436 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 362.07007 |
| Heavy Atoms | 25 |
| Complexity | 923.3495 |
Chemical Identifiers
| CAS Number | 89069-58-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NC=CC(=O)N2C3=CC=CC=C3C(F)(F)F |
Product Overview
RefChem:283718 (CAS 89069-58-9), with molecular formula C18H13F3N2OS and molecular weight 362.07 g/mol. IUPAC: 2-benzylsulfanyl-3-[2-(trifluoromethyl)phenyl]pyrimidin-4-one.
Chemical Property Profile of RefChem:283718
Property Insights of RefChem:283718
The XLogP value of 4.5436 indicates that RefChem:283718 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, RefChem:283718 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:283718 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 RefChem:283718?
The CAS number of RefChem:283718 is 89069-58-9.
What is the molecular formula of RefChem:283718?
The molecular formula of RefChem:283718 is C18H13F3N2OS.
What is the molecular weight of RefChem:283718?
The molecular weight of RefChem:283718 is 362.07 g/mol.
Where can I buy RefChem:283718?
You can request a quote for RefChem:283718 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:283718?
Yes, KEHONG BIO provides custom synthesis services for RefChem:283718 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.