![2-Benzyl-2,5-diazabicyclo[2.2.1]heptane structure](/static/products/1024/1024010-90-9.webp)
2-Benzyl-2,5-diazabicyclo[2.2.1]heptane
TL;DR: 2-Benzyl-2,5-diazabicyclo[2.2.1]heptane (CAS 1024010-90-9) is a chemical compound with molecular formula C12H16N2 and molecular weight 188.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-2,5-diazabicyclo[2.2.1]heptane
Also Known As: 2-Benzyl-2,5-diazabicyclo[2.2.1]heptane, 2-Benzyl-2,5-diaza-bicyclo[2,2,1]heptane, (1R,4R)-2-benzyl-2,5-diazabicyclo[2.2.1]heptane, 2-benzyl-2,5-diazabicyclo2,2,1heptane, (1S,4S)-2-Benzyl-2,5-Diazabicyclo[2.2.1]heptane
| Molecular Formula | C12H16N2 |
|---|---|
| Molecular Weight | 188.13 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 15.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 188.13135 |
| Heavy Atoms | 14 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 1024010-90-9 |
|---|---|
| SMILES | C1C2CNC1CN2CC3=CC=CC=C3 |
| InChIKey | JPRFUVVWNBBEDI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Benzyl-2,5-diazabicyclo[2.2.1]heptane (CAS 1024010-90-9), with molecular formula C12H16N2 and molecular weight 188.13 g/mol. IUPAC: 2-benzyl-2,5-diazabicyclo[2.2.1]heptane.
Chemical Property Profile of 2-Benzyl-2,5-diazabicyclo[2.2.1]heptane
Property Insights of 2-Benzyl-2,5-diazabicyclo[2.2.1]heptane
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzyl-2,5-diazabicyclo[2.2.1]heptane. With a topological polar surface area (TPSA) of 15.3 Ų, 2-Benzyl-2,5-diazabicyclo[2.2.1]heptane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzyl-2,5-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 2-Benzyl-2,5-diazabicyclo[2.2.1]heptane?
The CAS number of 2-Benzyl-2,5-diazabicyclo[2.2.1]heptane is 1024010-90-9.
What is the molecular formula of 2-Benzyl-2,5-diazabicyclo[2.2.1]heptane?
The molecular formula of 2-Benzyl-2,5-diazabicyclo[2.2.1]heptane is C12H16N2.
What is the molecular weight of 2-Benzyl-2,5-diazabicyclo[2.2.1]heptane?
The molecular weight of 2-Benzyl-2,5-diazabicyclo[2.2.1]heptane is 188.13 g/mol.
Where can I buy 2-Benzyl-2,5-diazabicyclo[2.2.1]heptane?
You can request a quote for 2-Benzyl-2,5-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 2-Benzyl-2,5-diazabicyclo[2.2.1]heptane?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzyl-2,5-diazabicyclo[2.2.1]heptane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.