BAS 00721913
TL;DR: BAS 00721913 (CAS 316358-19-7) 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-(4,4,8-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethyl]benzo[de]isoquinoline-1,3-dione
Also Known As: BAS 00721913, 2-[2-oxo-2-(4,4,8-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-(4,4,8-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethyl]benzo[de]isoquinoline-1,3-dione, 2-(2-oxo-2-(4,4,8-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 | 316358-19-7 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N(C(C3=C2C(=S)SS3)(C)C)C(=O)CN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O |
Product Overview
BAS 00721913 (CAS 316358-19-7), with molecular formula C27H20N2O3S3 and molecular weight 516.06 g/mol. IUPAC: 2-[2-oxo-2-(4,4,8-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethyl]benzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of BAS 00721913
Property Insights of BAS 00721913
The XLogP value of 6.54561 indicates that BAS 00721913 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 00721913 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00721913 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 00721913?
The CAS number of BAS 00721913 is 316358-19-7.
What is the molecular formula of BAS 00721913?
The molecular formula of BAS 00721913 is C27H20N2O3S3.
What is the molecular weight of BAS 00721913?
The molecular weight of BAS 00721913 is 516.06 g/mol.
Where can I buy BAS 00721913?
You can request a quote for BAS 00721913 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00721913?
Yes, KEHONG BIO provides custom synthesis services for BAS 00721913 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.