1-(4-Benzylpiperazin-1-yl)-2,2-dichloroethanone
TL;DR: 1-(4-Benzylpiperazin-1-yl)-2,2-dichloroethanone (CAS 77367-95-4) is a chemical compound with molecular formula C13H16Cl2N2O and molecular weight 286.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-benzylpiperazin-1-yl)-2,2-dichloroethanone
Also Known As: 1-(4-benzylpiperazin-1-yl)-2,2-dichloroethan-1-one, 1-(4-benzylpiperazin-1-yl)-2,2-dichloroethanone, F1575-0016
| Molecular Formula | C13H16Cl2N2O |
|---|---|
| Molecular Weight | 286.06 g/mol |
| LogP | 2.1345 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 286.06396 |
| Heavy Atoms | 18 |
| Complexity | 389.23755 |
Chemical Identifiers
| CAS Number | 77367-95-4 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)C(=O)C(Cl)Cl |
Product Overview
1-(4-Benzylpiperazin-1-yl)-2,2-dichloroethanone (CAS 77367-95-4), with molecular formula C13H16Cl2N2O and molecular weight 286.06 g/mol. IUPAC: 1-(4-benzylpiperazin-1-yl)-2,2-dichloroethanone.
Chemical Property Profile of 1-(4-Benzylpiperazin-1-yl)-2,2-dichloroethanone
Property Insights of 1-(4-Benzylpiperazin-1-yl)-2,2-dichloroethanone
The XLogP value of 2.1345 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Benzylpiperazin-1-yl)-2,2-dichloroethanone. With a topological polar surface area (TPSA) of 23.55 Ų, 1-(4-Benzylpiperazin-1-yl)-2,2-dichloroethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Benzylpiperazin-1-yl)-2,2-dichloroethanone has 0 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-(4-Benzylpiperazin-1-yl)-2,2-dichloroethanone?
The CAS number of 1-(4-Benzylpiperazin-1-yl)-2,2-dichloroethanone is 77367-95-4.
What is the molecular formula of 1-(4-Benzylpiperazin-1-yl)-2,2-dichloroethanone?
The molecular formula of 1-(4-Benzylpiperazin-1-yl)-2,2-dichloroethanone is C13H16Cl2N2O.
What is the molecular weight of 1-(4-Benzylpiperazin-1-yl)-2,2-dichloroethanone?
The molecular weight of 1-(4-Benzylpiperazin-1-yl)-2,2-dichloroethanone is 286.06 g/mol.
Where can I buy 1-(4-Benzylpiperazin-1-yl)-2,2-dichloroethanone?
You can request a quote for 1-(4-Benzylpiperazin-1-yl)-2,2-dichloroethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Benzylpiperazin-1-yl)-2,2-dichloroethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Benzylpiperazin-1-yl)-2,2-dichloroethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.