ChemDiv1_022840
TL;DR: ChemDiv1_022840 (CAS 331944-32-2) is a chemical compound with molecular formula C20H20N2O4S3 and molecular weight 448.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(8-ethoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-2-oxoethyl]pyrrolidine-2,5-dione
Also Known As: ChemDiv1_022840, DivK1c_004104, CDS1_003064, BAS 00655699, 1-[2-(8-ethoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-oxoethyl]-2,5-pyrrolidinedione
| Molecular Formula | C20H20N2O4S3 |
|---|---|
| Molecular Weight | 448.06 g/mol |
| LogP | 4.33549 |
| Topological Polar Surface Area | 66.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 448.05853 |
| Heavy Atoms | 29 |
| Complexity | 1069.6357 |
Chemical Identifiers
| CAS Number | 331944-32-2 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)N(C(C3=C2C(=S)SS3)(C)C)C(=O)CN4C(=O)CCC4=O |
Product Overview
ChemDiv1_022840 (CAS 331944-32-2), with molecular formula C20H20N2O4S3 and molecular weight 448.06 g/mol. IUPAC: 1-[2-(8-ethoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-2-oxoethyl]pyrrolidine-2,5-dione.
Chemical Property Profile of ChemDiv1_022840
Property Insights of ChemDiv1_022840
The XLogP value of 4.33549 indicates that ChemDiv1_022840 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_022840. Following Lipinski's Rule of Five, ChemDiv1_022840 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_022840?
The CAS number of ChemDiv1_022840 is 331944-32-2.
What is the molecular formula of ChemDiv1_022840?
The molecular formula of ChemDiv1_022840 is C20H20N2O4S3.
What is the molecular weight of ChemDiv1_022840?
The molecular weight of ChemDiv1_022840 is 448.06 g/mol.
Where can I buy ChemDiv1_022840?
You can request a quote for ChemDiv1_022840 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_022840?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_022840 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.