Bionet1_004573
TL;DR: Bionet1_004573 (CAS 478065-08-6) is a chemical compound with molecular formula C20H13F3N2S and molecular weight 370.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methylsulfanylquinolin-3-yl)-2-[3-(trifluoromethyl)phenyl]prop-2-enenitrile
Also Known As: Bionet1_004573, (Z)-3-[2-(methylsulfanyl)-3-quinolinyl]-2-[3-(trifluoromethyl)phenyl]-2-propenenitrile, 3-(2-methylsulfanylquinolin-3-yl)-2-[3-(trifluoromethyl)phenyl]prop-2-enenitrile
| Molecular Formula | C20H13F3N2S |
|---|---|
| Molecular Weight | 370.08 g/mol |
| LogP | 6.03968 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 370.07516 |
| Heavy Atoms | 26 |
| Complexity | 1033.1411 |
Chemical Identifiers
| CAS Number | 478065-08-6 |
|---|---|
| SMILES | CSC1=NC2=CC=CC=C2C=C1C=C(C#N)C3=CC(=CC=C3)C(F)(F)F |
Product Overview
Bionet1_004573 (CAS 478065-08-6), with molecular formula C20H13F3N2S and molecular weight 370.08 g/mol. IUPAC: 3-(2-methylsulfanylquinolin-3-yl)-2-[3-(trifluoromethyl)phenyl]prop-2-enenitrile.
Chemical Property Profile of Bionet1_004573
Property Insights of Bionet1_004573
The XLogP value of 6.03968 indicates that Bionet1_004573 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.68 Ų, Bionet1_004573 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bionet1_004573 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bionet1_004573?
The CAS number of Bionet1_004573 is 478065-08-6.
What is the molecular formula of Bionet1_004573?
The molecular formula of Bionet1_004573 is C20H13F3N2S.
What is the molecular weight of Bionet1_004573?
The molecular weight of Bionet1_004573 is 370.08 g/mol.
Where can I buy Bionet1_004573?
You can request a quote for Bionet1_004573 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_004573?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_004573 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.