阿帕齐醌
TL;DR: 阿帕齐醌 (CAS 114560-48-4) is a chemical compound with molecular formula C15H16N2O4 and molecular weight 288.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
阿帕齐醌
5-(aziridin-1-yl)-3-(hydroxymethyl)-2-(3-hydroxyprop-1-enyl)-1-methylindole-4,7-dione
Also Known As: Apaziquone, EO-9; NSC 382 459, NCI60_003655, 5-(1-aziridinyl)-3-(hydroxymethyl)-2-(3-hydroxy-1-propenyl)-1-methyl-1h-indole-4,7-dione, 5-(aziridin-1-yl)-3-(hydroxymethyl)-2-(3-hydroxyprop-1-enyl)-1-methylindole-4,7-dione
| Molecular Formula | C15H16N2O4 |
|---|---|
| Molecular Weight | 288.11 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 82.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 288.111 |
| Heavy Atoms | 21 |
| Complexity | 524.0 |
Chemical Identifiers
| CAS Number | 114560-48-4 |
|---|---|
| SMILES | CN1C(=C(C2=C1C(=O)C=C(C2=O)N3CC3)CO)C=CCO |
| InChIKey | MXPOCMVWFLDDLZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
阿帕齐醌 (CAS 114560-48-4), with molecular formula C15H16N2O4 and molecular weight 288.11 g/mol. IUPAC: 5-(aziridin-1-yl)-3-(hydroxymethyl)-2-(3-hydroxyprop-1-enyl)-1-methylindole-4,7-dione.
Chemical Property Profile of 阿帕齐醌
Property Insights of 阿帕齐醌
The XLogP value of -0.5 indicates that 阿帕齐醌 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 82.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 阿帕齐醌. Following Lipinski's Rule of Five, 阿帕齐醌 has 2 hydrogen bond donor(s) and 5 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 阿帕齐醌?
The CAS number of 阿帕齐醌 is 114560-48-4.
What is the molecular formula of 阿帕齐醌?
The molecular formula of 阿帕齐醌 is C15H16N2O4.
What is the molecular weight of 阿帕齐醌?
The molecular weight of 阿帕齐醌 is 288.11 g/mol.
Where can I buy 阿帕齐醌?
You can request a quote for 阿帕齐醌 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 阿帕齐醌?
Yes, KEHONG BIO provides custom synthesis services for 阿帕齐醌 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.