1-Nitroso-1,4-diazepane
TL;DR: 1-Nitroso-1,4-diazepane (CAS 72782-14-0) is a chemical compound with molecular formula C5H11N3O and molecular weight 129.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitroso-1,4-diazepane
Also Known As: Fasudil impurity 68, 1-nitroso-1,4-diazepane, 1-nitrosohomopiperazine
| Molecular Formula | C5H11N3O |
|---|---|
| Molecular Weight | 129.09 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 44.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 129.09021 |
| Heavy Atoms | 9 |
| Complexity | 96.0 |
Chemical Identifiers
| CAS Number | 72782-14-0 |
|---|---|
| SMILES | C1CNCCN(C1)N=O |
| InChIKey | XREBOTGAHBFXTA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Nitroso-1,4-diazepane (CAS 72782-14-0), with molecular formula C5H11N3O and molecular weight 129.09 g/mol. IUPAC: 1-nitroso-1,4-diazepane.
Chemical Property Profile of 1-Nitroso-1,4-diazepane
Property Insights of 1-Nitroso-1,4-diazepane
The XLogP value of -0.1 indicates that 1-Nitroso-1,4-diazepane is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 44.7 Ų, 1-Nitroso-1,4-diazepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Nitroso-1,4-diazepane has 1 hydrogen bond donor(s) and 4 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 1-Nitroso-1,4-diazepane?
The CAS number of 1-Nitroso-1,4-diazepane is 72782-14-0.
What is the molecular formula of 1-Nitroso-1,4-diazepane?
The molecular formula of 1-Nitroso-1,4-diazepane is C5H11N3O.
What is the molecular weight of 1-Nitroso-1,4-diazepane?
The molecular weight of 1-Nitroso-1,4-diazepane is 129.09 g/mol.
Where can I buy 1-Nitroso-1,4-diazepane?
You can request a quote for 1-Nitroso-1,4-diazepane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Nitroso-1,4-diazepane?
Yes, KEHONG BIO provides custom synthesis services for 1-Nitroso-1,4-diazepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.