![1,7-Diazabicyclo[2.2.1]heptane structure](/static/products/2794/279-42-5.webp)
1,7-Diazabicyclo[2.2.1]heptane
TL;DR: 1,7-Diazabicyclo[2.2.1]heptane (CAS 279-42-5) is a chemical compound with molecular formula C5H10N2 and molecular weight 98.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,7-diazabicyclo[2.2.1]heptane
Also Known As: 1,7-Diazabicyclo[2.2.1]heptane, 1,7-Diazabicyclo[2.2.0]heptane, 1,7-diazabicyclo(2.2.1)heptane, 1,7-Diazabicyclo[2.2.1]heptane #, 1,7-Diazabicyclo[2.2.1]heptane(8CI,9CI)
| Molecular Formula | C5H10N2 |
|---|---|
| Molecular Weight | 98.08 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 15.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 98.0844 |
| Heavy Atoms | 7 |
| Complexity | 74.0 |
Chemical Identifiers
| CAS Number | 279-42-5 |
|---|---|
| SMILES | C1CN2CCC1N2 |
| InChIKey | OLQNNQUNPCTRNY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,7-Diazabicyclo[2.2.1]heptane (CAS 279-42-5), with molecular formula C5H10N2 and molecular weight 98.08 g/mol. IUPAC: 1,7-diazabicyclo[2.2.1]heptane.
Chemical Property Profile of 1,7-Diazabicyclo[2.2.1]heptane
Property Insights of 1,7-Diazabicyclo[2.2.1]heptane
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,7-Diazabicyclo[2.2.1]heptane. With a topological polar surface area (TPSA) of 15.3 Ų, 1,7-Diazabicyclo[2.2.1]heptane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,7-Diazabicyclo[2.2.1]heptane 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 1,7-Diazabicyclo[2.2.1]heptane?
The CAS number of 1,7-Diazabicyclo[2.2.1]heptane is 279-42-5.
What is the molecular formula of 1,7-Diazabicyclo[2.2.1]heptane?
The molecular formula of 1,7-Diazabicyclo[2.2.1]heptane is C5H10N2.
What is the molecular weight of 1,7-Diazabicyclo[2.2.1]heptane?
The molecular weight of 1,7-Diazabicyclo[2.2.1]heptane is 98.08 g/mol.
Where can I buy 1,7-Diazabicyclo[2.2.1]heptane?
You can request a quote for 1,7-Diazabicyclo[2.2.1]heptane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,7-Diazabicyclo[2.2.1]heptane?
Yes, KEHONG BIO provides custom synthesis services for 1,7-Diazabicyclo[2.2.1]heptane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.