1-(4-Benzylpiperazino)-2-chloro-2,2-difluoro-1-ethanone
TL;DR: 1-(4-Benzylpiperazino)-2-chloro-2,2-difluoro-1-ethanone (CAS 478258-71-8) is a chemical compound with molecular formula C13H15ClF2N2O and molecular weight 288.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-benzylpiperazin-1-yl)-2-chloro-2,2-difluoroethanone
Also Known As: 1-(4-benzylpiperazino)-2-chloro-2,2-difluoro-1-ethanone, 1-(4-benzylpiperazin-1-yl)-2-chloro-2,2-difluoroethanone, 8P-904, 1-(4-benzylpiperazin-1-yl)-2-chloro-2,2-difluoro-ethanone, 1-(4-benzylpiperazin-1-yl)-2-chloro-2,2-difluoroethan-1-one
| Molecular Formula | C13H15ClF2N2O |
|---|---|
| Molecular Weight | 288.08 g/mol |
| LogP | 2.1624 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 288.0841 |
| Heavy Atoms | 19 |
| Complexity | 428.0194 |
Chemical Identifiers
| CAS Number | 478258-71-8 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)C(=O)C(F)(F)Cl |
Product Overview
1-(4-Benzylpiperazino)-2-chloro-2,2-difluoro-1-ethanone (CAS 478258-71-8), with molecular formula C13H15ClF2N2O and molecular weight 288.08 g/mol. IUPAC: 1-(4-benzylpiperazin-1-yl)-2-chloro-2,2-difluoroethanone.
Chemical Property Profile of 1-(4-Benzylpiperazino)-2-chloro-2,2-difluoro-1-ethanone
Property Insights of 1-(4-Benzylpiperazino)-2-chloro-2,2-difluoro-1-ethanone
The XLogP value of 2.1624 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Benzylpiperazino)-2-chloro-2,2-difluoro-1-ethanone. With a topological polar surface area (TPSA) of 23.55 Ų, 1-(4-Benzylpiperazino)-2-chloro-2,2-difluoro-1-ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Benzylpiperazino)-2-chloro-2,2-difluoro-1-ethanone 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-Benzylpiperazino)-2-chloro-2,2-difluoro-1-ethanone?
The CAS number of 1-(4-Benzylpiperazino)-2-chloro-2,2-difluoro-1-ethanone is 478258-71-8.
What is the molecular formula of 1-(4-Benzylpiperazino)-2-chloro-2,2-difluoro-1-ethanone?
The molecular formula of 1-(4-Benzylpiperazino)-2-chloro-2,2-difluoro-1-ethanone is C13H15ClF2N2O.
What is the molecular weight of 1-(4-Benzylpiperazino)-2-chloro-2,2-difluoro-1-ethanone?
The molecular weight of 1-(4-Benzylpiperazino)-2-chloro-2,2-difluoro-1-ethanone is 288.08 g/mol.
Where can I buy 1-(4-Benzylpiperazino)-2-chloro-2,2-difluoro-1-ethanone?
You can request a quote for 1-(4-Benzylpiperazino)-2-chloro-2,2-difluoro-1-ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Benzylpiperazino)-2-chloro-2,2-difluoro-1-ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Benzylpiperazino)-2-chloro-2,2-difluoro-1-ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.