ChemDiv1_022814
TL;DR: ChemDiv1_022814 (CAS 328069-77-8) is a chemical compound with molecular formula C19H18N2O3S3 and molecular weight 418.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-oxo-2-(4,4,6-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethyl]pyrrolidine-2,5-dione
Also Known As: ChemDiv1_022814, DivK1c_004078, CDS1_003038, BIM-0029850.P001, 1-[2-oxo-2-(4,4,6-trimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethyl]pyrrolidine-2,5-dione
| Molecular Formula | C19H18N2O3S3 |
|---|---|
| Molecular Weight | 418.05 g/mol |
| LogP | 4.24521 |
| Topological Polar Surface Area | 57.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 418.04794 |
| Heavy Atoms | 27 |
| Complexity | 1034.7096 |
Chemical Identifiers
| CAS Number | 328069-77-8 |
|---|---|
| SMILES | CC1=C2C(=CC=C1)C3=C(C(N2C(=O)CN4C(=O)CCC4=O)(C)C)SSC3=S |
Product Overview
ChemDiv1_022814 (CAS 328069-77-8), with molecular formula C19H18N2O3S3 and molecular weight 418.05 g/mol. IUPAC: 1-[2-oxo-2-(4,4,6-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethyl]pyrrolidine-2,5-dione.
Chemical Property Profile of ChemDiv1_022814
Property Insights of ChemDiv1_022814
The XLogP value of 4.24521 indicates that ChemDiv1_022814 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.69 Ų, ChemDiv1_022814 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_022814 has 0 hydrogen bond donor(s) and 6 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_022814?
The CAS number of ChemDiv1_022814 is 328069-77-8.
What is the molecular formula of ChemDiv1_022814?
The molecular formula of ChemDiv1_022814 is C19H18N2O3S3.
What is the molecular weight of ChemDiv1_022814?
The molecular weight of ChemDiv1_022814 is 418.05 g/mol.
Where can I buy ChemDiv1_022814?
You can request a quote for ChemDiv1_022814 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_022814?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_022814 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.