BAS 02862878
TL;DR: BAS 02862878 (CAS 494196-86-0) is a chemical compound with molecular formula C21H18F3N3OS and molecular weight 417.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-ethylphenyl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
Also Known As: BAS 02862878, N-(2-ethylphenyl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide, N-(2-ethylphenyl)-2-{[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}acetamide, N-(2-ethylphenyl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-ylthio]acetamide
| Molecular Formula | C21H18F3N3OS |
|---|---|
| Molecular Weight | 417.11 g/mol |
| LogP | 5.4556 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 417.11227 |
| Heavy Atoms | 29 |
| Complexity | 993.96155 |
Chemical Identifiers
| CAS Number | 494196-86-0 |
|---|---|
| SMILES | CCC1=CC=CC=C1NC(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3 |
Product Overview
BAS 02862878 (CAS 494196-86-0), with molecular formula C21H18F3N3OS and molecular weight 417.11 g/mol. IUPAC: N-(2-ethylphenyl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide.
Chemical Property Profile of BAS 02862878
Property Insights of BAS 02862878
The XLogP value of 5.4556 indicates that BAS 02862878 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, BAS 02862878 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 02862878 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 02862878?
The CAS number of BAS 02862878 is 494196-86-0.
What is the molecular formula of BAS 02862878?
The molecular formula of BAS 02862878 is C21H18F3N3OS.
What is the molecular weight of BAS 02862878?
The molecular weight of BAS 02862878 is 417.11 g/mol.
Where can I buy BAS 02862878?
You can request a quote for BAS 02862878 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02862878?
Yes, KEHONG BIO provides custom synthesis services for BAS 02862878 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.