ChemDiv1_023702
TL;DR: ChemDiv1_023702 (CAS 333340-40-2) is a chemical compound with molecular formula C20H16FNOS3 and molecular weight 401.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-1-(4-fluorophenyl)ethanone
Also Known As: ChemDiv1_023702, BAS 13119231, 2-(4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-1-(4-fluorophenyl)ethanone, 2-(4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-1-(4-fluorophenyl)ethanone, 2-(4,4-dimethyl-1-thioxo-1H-[1,2]dithiolo[3,4-c]quinolin-5(4H)-yl)-1-(4-fluorophenyl)ethanone
| Molecular Formula | C20H16FNOS3 |
|---|---|
| Molecular Weight | 401.04 g/mol |
| LogP | 6.28319 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 401.0378 |
| Heavy Atoms | 26 |
| Complexity | 1049.4183 |
Chemical Identifiers
| CAS Number | 333340-40-2 |
|---|---|
| SMILES | CC1(C2=C(C3=CC=CC=C3N1CC(=O)C4=CC=C(C=C4)F)C(=S)SS2)C |
Product Overview
ChemDiv1_023702 (CAS 333340-40-2), with molecular formula C20H16FNOS3 and molecular weight 401.04 g/mol. IUPAC: 2-(4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-1-(4-fluorophenyl)ethanone.
Chemical Property Profile of ChemDiv1_023702
Property Insights of ChemDiv1_023702
The XLogP value of 6.28319 indicates that ChemDiv1_023702 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_023702 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_023702 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_023702?
The CAS number of ChemDiv1_023702 is 333340-40-2.
What is the molecular formula of ChemDiv1_023702?
The molecular formula of ChemDiv1_023702 is C20H16FNOS3.
What is the molecular weight of ChemDiv1_023702?
The molecular weight of ChemDiv1_023702 is 401.04 g/mol.
Where can I buy ChemDiv1_023702?
You can request a quote for ChemDiv1_023702 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_023702?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_023702 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.