![(1S,4S)-2-(2,4-Difluorobenzyl)-2,5-diaza-bicyclo[2.2.1]heptane structure](/static/products/845/845866-69-5.png)
(1S,4S)-2-(2,4-Difluorobenzyl)-2,5-diaza-bicyclo[2.2.1]heptane
TL;DR: (1S,4S)-2-(2,4-Difluorobenzyl)-2,5-diaza-bicyclo[2.2.1]heptane (CAS 845866-69-5) is a chemical compound with molecular formula C12H14F2N2 and molecular weight 224.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,4-difluorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptane
Also Known As: (1S,4S)-2-(2,4-Difluorobenzyl)-2,5-diaza-bicyclo[2.2.1]heptane, 2-(2,4-Difluorobenzyl)-2,5-diazabicyclo[2.2.1]heptane, 2-[(2,4-difluorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptane, 6-[(2,4-difluorophenyl)methyl]-3,6-diazabicyclo[2.2.1]heptane, (1S,4S)-(+)-2-(2,4-Difluoro-benzyl)-2,5-diaza-bicyclo[2.2.1]heptane 2CF3COOH salt
| Molecular Formula | C12H14F2N2 |
|---|---|
| Molecular Weight | 224.11 g/mol |
| LogP | 1.5109 |
| Topological Polar Surface Area | 15.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 224.1125 |
| Heavy Atoms | 16 |
| Complexity | 408.00528 |
Chemical Identifiers
| CAS Number | 845866-69-5 |
|---|---|
| SMILES | C1C2CNC1CN2CC3=C(C=C(C=C3)F)F |
Product Overview
(1S,4S)-2-(2,4-Difluorobenzyl)-2,5-diaza-bicyclo[2.2.1]heptane (CAS 845866-69-5), with molecular formula C12H14F2N2 and molecular weight 224.11 g/mol. IUPAC: 2-[(2,4-difluorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptane.
Chemical Property Profile of (1S,4S)-2-(2,4-Difluorobenzyl)-2,5-diaza-bicyclo[2.2.1]heptane
Property Insights of (1S,4S)-2-(2,4-Difluorobenzyl)-2,5-diaza-bicyclo[2.2.1]heptane
The XLogP value of 1.5109 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1S,4S)-2-(2,4-Difluorobenzyl)-2,5-diaza-bicyclo[2.2.1]heptane. With a topological polar surface area (TPSA) of 15.27 Ų, (1S,4S)-2-(2,4-Difluorobenzyl)-2,5-diaza-bicyclo[2.2.1]heptane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1S,4S)-2-(2,4-Difluorobenzyl)-2,5-diaza-bicyclo[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 (1S,4S)-2-(2,4-Difluorobenzyl)-2,5-diaza-bicyclo[2.2.1]heptane?
The CAS number of (1S,4S)-2-(2,4-Difluorobenzyl)-2,5-diaza-bicyclo[2.2.1]heptane is 845866-69-5.
What is the molecular formula of (1S,4S)-2-(2,4-Difluorobenzyl)-2,5-diaza-bicyclo[2.2.1]heptane?
The molecular formula of (1S,4S)-2-(2,4-Difluorobenzyl)-2,5-diaza-bicyclo[2.2.1]heptane is C12H14F2N2.
What is the molecular weight of (1S,4S)-2-(2,4-Difluorobenzyl)-2,5-diaza-bicyclo[2.2.1]heptane?
The molecular weight of (1S,4S)-2-(2,4-Difluorobenzyl)-2,5-diaza-bicyclo[2.2.1]heptane is 224.11 g/mol.
Where can I buy (1S,4S)-2-(2,4-Difluorobenzyl)-2,5-diaza-bicyclo[2.2.1]heptane?
You can request a quote for (1S,4S)-2-(2,4-Difluorobenzyl)-2,5-diaza-bicyclo[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 (1S,4S)-2-(2,4-Difluorobenzyl)-2,5-diaza-bicyclo[2.2.1]heptane?
Yes, KEHONG BIO provides custom synthesis services for (1S,4S)-2-(2,4-Difluorobenzyl)-2,5-diaza-bicyclo[2.2.1]heptane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.