BAS 00619859
TL;DR: BAS 00619859 (CAS 331840-79-0) is a chemical compound with molecular formula C23H18N2O3S3 and molecular weight 466.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-oxo-2-(4,4,6-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethyl]isoindole-1,3-dione
Also Known As: BAS 00619859, BIM-0026766.P001, 2-[2-oxo-2-(4,4,6-trimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethyl]-1H-isoindole-1,3(2H)-dione, 2-[2-oxo-2-(4,4,6-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethyl]isoindole-1,3-dione, 2-(2-oxo-2-(4,4,6-trimethyl-1-thioxo-1H-[1,2]dithiolo[3,4-c]quinolin-5(4H)-yl)ethyl)isoindoline-1,3-dione
| Molecular Formula | C23H18N2O3S3 |
|---|---|
| Molecular Weight | 466.05 g/mol |
| LogP | 5.39241 |
| Topological Polar Surface Area | 57.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 466.04794 |
| Heavy Atoms | 31 |
| Complexity | 1317.0917 |
Chemical Identifiers
| CAS Number | 331840-79-0 |
|---|---|
| SMILES | CC1=C2C(=CC=C1)C3=C(C(N2C(=O)CN4C(=O)C5=CC=CC=C5C4=O)(C)C)SSC3=S |
Product Overview
BAS 00619859 (CAS 331840-79-0), with molecular formula C23H18N2O3S3 and molecular weight 466.05 g/mol. IUPAC: 2-[2-oxo-2-(4,4,6-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethyl]isoindole-1,3-dione.
Chemical Property Profile of BAS 00619859
Property Insights of BAS 00619859
The XLogP value of 5.39241 indicates that BAS 00619859 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.69 Ų, BAS 00619859 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00619859 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00619859?
The CAS number of BAS 00619859 is 331840-79-0.
What is the molecular formula of BAS 00619859?
The molecular formula of BAS 00619859 is C23H18N2O3S3.
What is the molecular weight of BAS 00619859?
The molecular weight of BAS 00619859 is 466.05 g/mol.
Where can I buy BAS 00619859?
You can request a quote for BAS 00619859 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00619859?
Yes, KEHONG BIO provides custom synthesis services for BAS 00619859 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.