ChemDiv1_022796
TL;DR: ChemDiv1_022796 (CAS 331944-31-1) is a chemical compound with molecular formula C19H18N2O4S3 and molecular weight 434.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(8-methoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-2-oxoethyl]pyrrolidine-2,5-dione
Also Known As: ChemDiv1_022796, DivK1c_004060, CDS1_003020, BAS 04382076, AB00092102-01
| Molecular Formula | C19H18N2O4S3 |
|---|---|
| Molecular Weight | 434.04 g/mol |
| LogP | 3.94539 |
| Topological Polar Surface Area | 66.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 434.04288 |
| Heavy Atoms | 28 |
| Complexity | 1053.3713 |
Chemical Identifiers
| CAS Number | 331944-31-1 |
|---|---|
| SMILES | CC1(C2=C(C3=C(N1C(=O)CN4C(=O)CCC4=O)C=CC(=C3)OC)C(=S)SS2)C |
Product Overview
ChemDiv1_022796 (CAS 331944-31-1), with molecular formula C19H18N2O4S3 and molecular weight 434.04 g/mol. IUPAC: 1-[2-(8-methoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-2-oxoethyl]pyrrolidine-2,5-dione.
Chemical Property Profile of ChemDiv1_022796
Property Insights of ChemDiv1_022796
The XLogP value of 3.94539 indicates that ChemDiv1_022796 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.92 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_022796. Following Lipinski's Rule of Five, ChemDiv1_022796 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_022796?
The CAS number of ChemDiv1_022796 is 331944-31-1.
What is the molecular formula of ChemDiv1_022796?
The molecular formula of ChemDiv1_022796 is C19H18N2O4S3.
What is the molecular weight of ChemDiv1_022796?
The molecular weight of ChemDiv1_022796 is 434.04 g/mol.
Where can I buy ChemDiv1_022796?
You can request a quote for ChemDiv1_022796 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_022796?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_022796 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.