618863-54-0 (Malate)
TL;DR: 618863-54-0 (Malate) (CAS 618863-60-8) is a chemical compound with molecular formula C20H23N3O7 and molecular weight 417.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-2-[2-(dimethylamino)ethyl]benzo[de]isoquinoline-1,3-dione;2-hydroxybutanedioic acid
Also Known As: Xanafide, AMONAFIDE L-MALATE, 618863-54-0 (malate), 5-amino-2-(2-(dimethylamino)ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione L-malate, 5-amino-2-[2-(dimethylamino)ethyl]benzo[de]isoquinoline-1,3-dione;2-hydroxybutanedioic acid
| Molecular Formula | C20H23N3O7 |
|---|---|
| Molecular Weight | 417.15 g/mol |
| LogP | 0.4862 |
| Topological Polar Surface Area | 161.47 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 417.1536 |
| Heavy Atoms | 30 |
| Complexity | 1003.3028 |
Chemical Identifiers
| CAS Number | 618863-60-8 |
|---|---|
| SMILES | CN(C)CCN1C(=O)C2=CC=CC3=CC(=CC(=C32)C1=O)N.C(C(C(=O)O)O)C(=O)O |
Product Overview
618863-54-0 (Malate) (CAS 618863-60-8), with molecular formula C20H23N3O7 and molecular weight 417.15 g/mol. IUPAC: 5-amino-2-[2-(dimethylamino)ethyl]benzo[de]isoquinoline-1,3-dione;2-hydroxybutanedioic acid.
Chemical Property Profile of 618863-54-0 (Malate)
Property Insights of 618863-54-0 (Malate)
The XLogP value of 0.4862 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 618863-54-0 (Malate). The TPSA of 161.47 Ų indicates high polarity, suggesting 618863-54-0 (Malate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 618863-54-0 (Malate) has 4 hydrogen bond donor(s) and 7 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 618863-54-0 (Malate)?
The CAS number of 618863-54-0 (Malate) is 618863-60-8.
What is the molecular formula of 618863-54-0 (Malate)?
The molecular formula of 618863-54-0 (Malate) is C20H23N3O7.
What is the molecular weight of 618863-54-0 (Malate)?
The molecular weight of 618863-54-0 (Malate) is 417.15 g/mol.
Where can I buy 618863-54-0 (Malate)?
You can request a quote for 618863-54-0 (Malate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 618863-54-0 (Malate)?
Yes, KEHONG BIO provides custom synthesis services for 618863-54-0 (Malate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.