![2-[(3,4-Dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptane structure](/static/products/845/845866-68-4.png)
2-[(3,4-Dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptane
TL;DR: 2-[(3,4-Dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptane (CAS 845866-68-4) is a chemical compound with molecular formula C12H14Cl2N2 and molecular weight 256.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3,4-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptane
Also Known As: 2-(3,4-dichlorobenzyl)-2,5-diazabicyclo[2.2.1]heptane, 2-(3,4-DICHLOROBENZYL)-2,5-DIAZA-BICYCLO[2.2.1]HEPTANE, 2-[(3,4-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptane, 6-[(3,4-dichlorophenyl)methyl]-3,6-diazabicyclo[2.2.1]heptane, (1S,4S)-(+)-2-(3,4-DICHLORO-BENZYL)-2,5-DIAZA-BICYCLO[2.2.1]HEPTANE 2CF3COOH
| Molecular Formula | C12H14Cl2N2 |
|---|---|
| Molecular Weight | 256.05 g/mol |
| LogP | 2.5395 |
| Topological Polar Surface Area | 15.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 256.0534 |
| Heavy Atoms | 16 |
| Complexity | 408.00528 |
Chemical Identifiers
| CAS Number | 845866-68-4 |
|---|---|
| SMILES | C1C2CNC1CN2CC3=CC(=C(C=C3)Cl)Cl |
Product Overview
2-[(3,4-Dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptane (CAS 845866-68-4), with molecular formula C12H14Cl2N2 and molecular weight 256.05 g/mol. IUPAC: 2-[(3,4-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptane.
Chemical Property Profile of 2-[(3,4-Dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptane
Property Insights of 2-[(3,4-Dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptane
The XLogP value of 2.5395 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(3,4-Dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptane. With a topological polar surface area (TPSA) of 15.27 Ų, 2-[(3,4-Dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(3,4-Dichlorophenyl)methyl]-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-[(3,4-Dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptane?
The CAS number of 2-[(3,4-Dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptane is 845866-68-4.
What is the molecular formula of 2-[(3,4-Dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptane?
The molecular formula of 2-[(3,4-Dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptane is C12H14Cl2N2.
What is the molecular weight of 2-[(3,4-Dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptane?
The molecular weight of 2-[(3,4-Dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptane is 256.05 g/mol.
Where can I buy 2-[(3,4-Dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptane?
You can request a quote for 2-[(3,4-Dichlorophenyl)methyl]-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-[(3,4-Dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptane?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3,4-Dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.