1,3-Diazabicyclo(3.1.0)hexane
TL;DR: 1,3-Diazabicyclo(3.1.0)hexane (CAS 17038-28-7) is a chemical compound with molecular formula C4H8N2 and molecular weight 84.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-diazabicyclo[3.1.0]hexane
Also Known As: 1,3-Diazabicyclo[3.1.0]hexane, 1,3-Diazobicyclo[3.1.0]hexane, 1,3-Diazabicyclo(3.1.0)hexane, 1,3-Diazobicyclo(3.1.0)hexane, RefChem:218297
| Molecular Formula | C4H8N2 |
|---|---|
| Molecular Weight | 84.07 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 15.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 84.06875 |
| Heavy Atoms | 6 |
| Complexity | 71.0 |
Chemical Identifiers
| CAS Number | 17038-28-7 |
|---|---|
| SMILES | C1C2CN2CN1 |
| InChIKey | IESGURQWOKTSMU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Diazabicyclo(3.1.0)hexane (CAS 17038-28-7), with molecular formula C4H8N2 and molecular weight 84.07 g/mol. IUPAC: 1,3-diazabicyclo[3.1.0]hexane.
Chemical Property Profile of 1,3-Diazabicyclo(3.1.0)hexane
Property Insights of 1,3-Diazabicyclo(3.1.0)hexane
The XLogP value of -0.5 indicates that 1,3-Diazabicyclo(3.1.0)hexane is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 15.0 Ų, 1,3-Diazabicyclo(3.1.0)hexane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Diazabicyclo(3.1.0)hexane has 1 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 1,3-Diazabicyclo(3.1.0)hexane?
The CAS number of 1,3-Diazabicyclo(3.1.0)hexane is 17038-28-7.
What is the molecular formula of 1,3-Diazabicyclo(3.1.0)hexane?
The molecular formula of 1,3-Diazabicyclo(3.1.0)hexane is C4H8N2.
What is the molecular weight of 1,3-Diazabicyclo(3.1.0)hexane?
The molecular weight of 1,3-Diazabicyclo(3.1.0)hexane is 84.07 g/mol.
Where can I buy 1,3-Diazabicyclo(3.1.0)hexane?
You can request a quote for 1,3-Diazabicyclo(3.1.0)hexane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Diazabicyclo(3.1.0)hexane?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Diazabicyclo(3.1.0)hexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.