ChemDiv1_022848
TL;DR: ChemDiv1_022848 (CAS 331640-34-7) is a chemical compound with molecular formula C21H19NOS3 and molecular weight 397.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl-(4,4,6,8-tetramethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)methanone
Also Known As: ChemDiv1_022848, DivK1c_004112, CDS1_003072, BAS 00757535, 5-benzoyl-4,4,6,8-tetramethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione
| Molecular Formula | C21H19NOS3 |
|---|---|
| Molecular Weight | 397.06 g/mol |
| LogP | 6.71843 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 397.06287 |
| Heavy Atoms | 26 |
| Complexity | 1076.3809 |
Chemical Identifiers
| CAS Number | 331640-34-7 |
|---|---|
| SMILES | CC1=CC(=C2C(=C1)C3=C(C(N2C(=O)C4=CC=CC=C4)(C)C)SSC3=S)C |
Product Overview
ChemDiv1_022848 (CAS 331640-34-7), with molecular formula C21H19NOS3 and molecular weight 397.06 g/mol. IUPAC: phenyl-(4,4,6,8-tetramethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)methanone.
Chemical Property Profile of ChemDiv1_022848
Property Insights of ChemDiv1_022848
The XLogP value of 6.71843 indicates that ChemDiv1_022848 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_022848 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_022848 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_022848?
The CAS number of ChemDiv1_022848 is 331640-34-7.
What is the molecular formula of ChemDiv1_022848?
The molecular formula of ChemDiv1_022848 is C21H19NOS3.
What is the molecular weight of ChemDiv1_022848?
The molecular weight of ChemDiv1_022848 is 397.06 g/mol.
Where can I buy ChemDiv1_022848?
You can request a quote for ChemDiv1_022848 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_022848?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_022848 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.