BAS 00721916
TL;DR: BAS 00721916 (CAS 331973-51-4) is a chemical compound with molecular formula C27H20N2O3S3 and molecular weight 516.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-oxo-2-(4,4,7-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethyl]benzo[de]isoquinoline-1,3-dione
Also Known As: BAS 00721916, 2-[2-oxo-2-(4,4,7-trimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione, 2-[2-oxo-2-(4,4,7-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethyl]benzo[de]isoquinoline-1,3-dione, 2-(2-oxo-2-(4,4,7-trimethyl-1-thioxo-1H-[1,2]dithiolo[3,4-c]quinolin-5(4H)-yl)ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
| Molecular Formula | C27H20N2O3S3 |
|---|---|
| Molecular Weight | 516.06 g/mol |
| LogP | 6.54561 |
| Topological Polar Surface Area | 57.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 516.0636 |
| Heavy Atoms | 35 |
| Complexity | 1613.2017 |
Chemical Identifiers
| CAS Number | 331973-51-4 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)C3=C(C(N2C(=O)CN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O)(C)C)SSC3=S |
Product Overview
BAS 00721916 (CAS 331973-51-4), with molecular formula C27H20N2O3S3 and molecular weight 516.06 g/mol. IUPAC: 2-[2-oxo-2-(4,4,7-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethyl]benzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of BAS 00721916
Property Insights of BAS 00721916
The XLogP value of 6.54561 indicates that BAS 00721916 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 00721916 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00721916 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 00721916?
The CAS number of BAS 00721916 is 331973-51-4.
What is the molecular formula of BAS 00721916?
The molecular formula of BAS 00721916 is C27H20N2O3S3.
What is the molecular weight of BAS 00721916?
The molecular weight of BAS 00721916 is 516.06 g/mol.
Where can I buy BAS 00721916?
You can request a quote for BAS 00721916 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00721916?
Yes, KEHONG BIO provides custom synthesis services for BAS 00721916 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.