ChemDiv1_022822
TL;DR: ChemDiv1_022822 (CAS 351192-65-9) is a chemical compound with molecular formula C21H16F3NOS3 and molecular weight 451.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(trifluoromethyl)phenyl]-(4,4,8-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)methanone
Also Known As: ChemDiv1_022822, DivK1c_004086, CDS1_003046, BAS 01045260, 4,4,8-trimethyl-5-[4-(trifluoromethyl)benzoyl]-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione
| Molecular Formula | C21H16F3NOS3 |
|---|---|
| Molecular Weight | 451.03 g/mol |
| LogP | 7.42881 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 451.0346 |
| Heavy Atoms | 29 |
| Complexity | 1173.1174 |
Chemical Identifiers
| CAS Number | 351192-65-9 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N(C(C3=C2C(=S)SS3)(C)C)C(=O)C4=CC=C(C=C4)C(F)(F)F |
Product Overview
ChemDiv1_022822 (CAS 351192-65-9), with molecular formula C21H16F3NOS3 and molecular weight 451.03 g/mol. IUPAC: [4-(trifluoromethyl)phenyl]-(4,4,8-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)methanone.
Chemical Property Profile of ChemDiv1_022822
Property Insights of ChemDiv1_022822
The XLogP value of 7.42881 indicates that ChemDiv1_022822 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, ChemDiv1_022822 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_022822 has 0 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 ChemDiv1_022822?
The CAS number of ChemDiv1_022822 is 351192-65-9.
What is the molecular formula of ChemDiv1_022822?
The molecular formula of ChemDiv1_022822 is C21H16F3NOS3.
What is the molecular weight of ChemDiv1_022822?
The molecular weight of ChemDiv1_022822 is 451.03 g/mol.
Where can I buy ChemDiv1_022822?
You can request a quote for ChemDiv1_022822 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_022822?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_022822 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.