2,4-Dioxo-hexahydro-1,5-diazepine
TL;DR: 2,4-Dioxo-hexahydro-1,5-diazepine (CAS 89181-54-4) is a chemical compound with molecular formula C5H8N2O2 and molecular weight 128.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-diazepane-5,7-dione
Also Known As: 1,4-diazepane-5,7-dione, [1,4]diazepane-5,7-dione, 2,4-dioxo-hexahydro-1,5-diazepine
| Molecular Formula | C5H8N2O2 |
|---|---|
| Molecular Weight | 128.06 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 128.05858 |
| Heavy Atoms | 9 |
| Complexity | 128.0 |
Chemical Identifiers
| CAS Number | 89181-54-4 |
|---|---|
| SMILES | C1CNC(=O)CC(=O)N1 |
| InChIKey | GZZPGFBEKZVMKW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Dioxo-hexahydro-1,5-diazepine (CAS 89181-54-4), with molecular formula C5H8N2O2 and molecular weight 128.06 g/mol. IUPAC: 1,4-diazepane-5,7-dione.
Chemical Property Profile of 2,4-Dioxo-hexahydro-1,5-diazepine
Property Insights of 2,4-Dioxo-hexahydro-1,5-diazepine
The XLogP value of -1.2 indicates that 2,4-Dioxo-hexahydro-1,5-diazepine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 58.2 Ų, 2,4-Dioxo-hexahydro-1,5-diazepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Dioxo-hexahydro-1,5-diazepine has 2 hydrogen bond donor(s) and 2 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 2,4-Dioxo-hexahydro-1,5-diazepine?
The CAS number of 2,4-Dioxo-hexahydro-1,5-diazepine is 89181-54-4.
What is the molecular formula of 2,4-Dioxo-hexahydro-1,5-diazepine?
The molecular formula of 2,4-Dioxo-hexahydro-1,5-diazepine is C5H8N2O2.
What is the molecular weight of 2,4-Dioxo-hexahydro-1,5-diazepine?
The molecular weight of 2,4-Dioxo-hexahydro-1,5-diazepine is 128.06 g/mol.
Where can I buy 2,4-Dioxo-hexahydro-1,5-diazepine?
You can request a quote for 2,4-Dioxo-hexahydro-1,5-diazepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dioxo-hexahydro-1,5-diazepine?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dioxo-hexahydro-1,5-diazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.