Mitoxantrone dicarboxylic acid
TL;DR: Mitoxantrone dicarboxylic acid (CAS 5430-03-5) is a chemical compound with molecular formula C22H24N4O8 and molecular weight 472.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[[4-[2-(carboxymethylamino)ethylamino]-5,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]ethylamino]acetic acid
Also Known As: Mitoxantrone dicarboxylic acid, CL 283981, 2-[2-[[4-[2-(carboxymethylamino)ethylamino]-5,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]ethylamino]acetic acid, 2,2'-[(5,8-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-1,4-diyl)bis(iminoethane-2,1-diylimino)]diacetic acid(non-preferred name), Glycine, N,N'-((9,10-dihydro-5,8-dihydroxy-9,10-dioxo-1,4-anthracenediyl)bis(imino-2,1-ethanediyl))bis-
| Molecular Formula | C22H24N4O8 |
|---|---|
| Molecular Weight | 472.16 g/mol |
| LogP | -3.0 |
| Topological Polar Surface Area | 197.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 12 |
| Exact Mass | 472.15942 |
| Heavy Atoms | 34 |
| Complexity | 703.0 |
Chemical Identifiers
| CAS Number | 5430-03-5 |
|---|---|
| SMILES | C1=CC(=C2C(=C1NCCNCC(=O)O)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCC(=O)O |
| InChIKey | DDEBCPLFRUBTMM-UHFFFAOYSA-N |
Product Overview
Mitoxantrone dicarboxylic acid (CAS 5430-03-5), with molecular formula C22H24N4O8 and molecular weight 472.16 g/mol. IUPAC: 2-[2-[[4-[2-(carboxymethylamino)ethylamino]-5,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]ethylamino]acetic acid.
Chemical Property Profile of Mitoxantrone dicarboxylic acid
Property Insights of Mitoxantrone dicarboxylic acid
The XLogP value of -3.0 indicates that Mitoxantrone dicarboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 197.0 Ų indicates high polarity, suggesting Mitoxantrone dicarboxylic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Mitoxantrone dicarboxylic acid has 8 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Mitoxantrone dicarboxylic acid?
The CAS number of Mitoxantrone dicarboxylic acid is 5430-03-5.
What is the molecular formula of Mitoxantrone dicarboxylic acid?
The molecular formula of Mitoxantrone dicarboxylic acid is C22H24N4O8.
What is the molecular weight of Mitoxantrone dicarboxylic acid?
The molecular weight of Mitoxantrone dicarboxylic acid is 472.16 g/mol.
Where can I buy Mitoxantrone dicarboxylic acid?
You can request a quote for Mitoxantrone dicarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mitoxantrone dicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for Mitoxantrone dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.