ChemDiv1_022875
TL;DR: ChemDiv1_022875 (CAS 351337-85-4) is a chemical compound with molecular formula C22H21NOS3 and molecular weight 411.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-2-(4,4,6,8-tetramethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone
Also Known As: ChemDiv1_022875, DivK1c_004139, CDS1_003099, 1-phenyl-2-(4,4,6,8-tetramethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethanone, 1-phenyl-2-(4,4,6,8-tetramethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone
| Molecular Formula | C22H21NOS3 |
|---|---|
| Molecular Weight | 411.08 g/mol |
| LogP | 6.76093 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 411.07852 |
| Heavy Atoms | 27 |
| Complexity | 1092.4908 |
Chemical Identifiers
| CAS Number | 351337-85-4 |
|---|---|
| SMILES | CC1=CC(=C2C(=C1)C3=C(C(N2CC(=O)C4=CC=CC=C4)(C)C)SSC3=S)C |
Product Overview
ChemDiv1_022875 (CAS 351337-85-4), with molecular formula C22H21NOS3 and molecular weight 411.08 g/mol. IUPAC: 1-phenyl-2-(4,4,6,8-tetramethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone.
Chemical Property Profile of ChemDiv1_022875
Property Insights of ChemDiv1_022875
The XLogP value of 6.76093 indicates that ChemDiv1_022875 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_022875 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_022875 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_022875?
The CAS number of ChemDiv1_022875 is 351337-85-4.
What is the molecular formula of ChemDiv1_022875?
The molecular formula of ChemDiv1_022875 is C22H21NOS3.
What is the molecular weight of ChemDiv1_022875?
The molecular weight of ChemDiv1_022875 is 411.08 g/mol.
Where can I buy ChemDiv1_022875?
You can request a quote for ChemDiv1_022875 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_022875?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_022875 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.