Diaziquone
TL;DR: Diaziquone (CAS 57998-68-2) is a chemical compound with molecular formula C16H20N4O6 and molecular weight 364.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[2,5-bis(aziridin-1-yl)-4-(ethoxycarbonylamino)-3,6-dioxocyclohexa-1,4-dien-1-yl]carbamate
Also Known As: diaziquone, Diaziquonum, Aziridinylbenzoquinone, diazicuona, Aziridinylquinone
| Molecular Formula | C16H20N4O6 |
|---|---|
| Molecular Weight | 364.14 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 364.13828 |
| Heavy Atoms | 26 |
| Complexity | 671.0 |
| Solubility | Water 0.72 (mg/mL) |
Chemical Identifiers
| CAS Number | 57998-68-2 |
|---|---|
| SMILES | CCOC(=O)NC1=C(C(=O)C(=C(C1=O)N2CC2)NC(=O)OCC)N3CC3 |
| InChIKey | WVYXNIXAMZOZFK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diaziquone (CAS 57998-68-2), with molecular formula C16H20N4O6 and molecular weight 364.14 g/mol. IUPAC: ethyl N-[2,5-bis(aziridin-1-yl)-4-(ethoxycarbonylamino)-3,6-dioxocyclohexa-1,4-dien-1-yl]carbamate.
Chemical Property Profile of Diaziquone
Property Insights of Diaziquone
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diaziquone. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Diaziquone. Following Lipinski's Rule of Five, Diaziquone 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 Diaziquone?
The CAS number of Diaziquone is 57998-68-2.
What is the molecular formula of Diaziquone?
The molecular formula of Diaziquone is C16H20N4O6.
What is the molecular weight of Diaziquone?
The molecular weight of Diaziquone is 364.14 g/mol.
Where can I buy Diaziquone?
You can request a quote for Diaziquone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diaziquone?
Yes, KEHONG BIO provides custom synthesis services for Diaziquone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.