Benz(g)isoquinoline-5,10-dione, 6,9-bis((2-(dimethylamino)ethyl)amino)-, 2-oxide
TL;DR: Benz(g)isoquinoline-5,10-dione, 6,9-bis((2-(dimethylamino)ethyl)amino)-, 2-oxide (CAS 17181-99-6) is a chemical compound with molecular formula C21H27N5O3 and molecular weight 397.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,9-bis[2-(dimethylamino)ethylimino]-2,5-dihydroxybenzo[g]isoquinolin-10-one
Also Known As: BBR 2867, KST-1A1984, Benz(g)isoquinoline-5,10-dione, 6,9-bis((2-(dimethylamino)ethyl)amino)-, 2-oxide, (6e,9e)-6,9-bis{[2-(dimethylamino)ethyl]imino}-2,5-dihydroxy-6,9-dihydrobenzo[g]isoquinolin-10(2h)-one, Benz[g]isoquinoline-5,10-dione,6,9-bis[[2-(dimethylamino)ethyl]amino]-, 2-oxide
| Molecular Formula | C21H27N5O3 |
|---|---|
| Molecular Weight | 397.21 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 92.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 397.2114 |
| Heavy Atoms | 29 |
| Complexity | 917.0 |
Chemical Identifiers
| CAS Number | 17181-99-6 |
|---|---|
| SMILES | CN(C)CCN=C1C=CC(=NCCN(C)C)C2=C1C(=C3C=CN(C=C3C2=O)O)O |
| InChIKey | ZDBDBUCDQWBJOE-UHFFFAOYSA-N |
Product Overview
Benz(g)isoquinoline-5,10-dione, 6,9-bis((2-(dimethylamino)ethyl)amino)-, 2-oxide (CAS 17181-99-6), with molecular formula C21H27N5O3 and molecular weight 397.21 g/mol. IUPAC: 6,9-bis[2-(dimethylamino)ethylimino]-2,5-dihydroxybenzo[g]isoquinolin-10-one.
Chemical Property Profile of Benz(g)isoquinoline-5,10-dione, 6,9-bis((2-(dimethylamino)ethyl)amino)-, 2-oxide
Property Insights of Benz(g)isoquinoline-5,10-dione, 6,9-bis((2-(dimethylamino)ethyl)amino)-, 2-oxide
The XLogP value of -0.2 indicates that Benz(g)isoquinoline-5,10-dione, 6,9-bis((2-(dimethylamino)ethyl)amino)-, 2-oxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 92.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benz(g)isoquinoline-5,10-dione, 6,9-bis((2-(dimethylamino)ethyl)amino)-, 2-oxide. Following Lipinski's Rule of Five, Benz(g)isoquinoline-5,10-dione, 6,9-bis((2-(dimethylamino)ethyl)amino)-, 2-oxide has 2 hydrogen bond donor(s) and 8 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 Benz(g)isoquinoline-5,10-dione, 6,9-bis((2-(dimethylamino)ethyl)amino)-, 2-oxide?
The CAS number of Benz(g)isoquinoline-5,10-dione, 6,9-bis((2-(dimethylamino)ethyl)amino)-, 2-oxide is 17181-99-6.
What is the molecular formula of Benz(g)isoquinoline-5,10-dione, 6,9-bis((2-(dimethylamino)ethyl)amino)-, 2-oxide?
The molecular formula of Benz(g)isoquinoline-5,10-dione, 6,9-bis((2-(dimethylamino)ethyl)amino)-, 2-oxide is C21H27N5O3.
What is the molecular weight of Benz(g)isoquinoline-5,10-dione, 6,9-bis((2-(dimethylamino)ethyl)amino)-, 2-oxide?
The molecular weight of Benz(g)isoquinoline-5,10-dione, 6,9-bis((2-(dimethylamino)ethyl)amino)-, 2-oxide is 397.21 g/mol.
Where can I buy Benz(g)isoquinoline-5,10-dione, 6,9-bis((2-(dimethylamino)ethyl)amino)-, 2-oxide?
You can request a quote for Benz(g)isoquinoline-5,10-dione, 6,9-bis((2-(dimethylamino)ethyl)amino)-, 2-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benz(g)isoquinoline-5,10-dione, 6,9-bis((2-(dimethylamino)ethyl)amino)-, 2-oxide?
Yes, KEHONG BIO provides custom synthesis services for Benz(g)isoquinoline-5,10-dione, 6,9-bis((2-(dimethylamino)ethyl)amino)-, 2-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.