4-(4-Acetyl-1-piperazinyl)-3-fluorobenzonitrile
TL;DR: 4-(4-Acetyl-1-piperazinyl)-3-fluorobenzonitrile (CAS 878620-27-0) is a chemical compound with molecular formula C13H14FN3O and molecular weight 247.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-acetylpiperazin-1-yl)-3-fluorobenzonitrile
Also Known As: ASN 05017264, 4-(4-acetylpiperazin-1-yl)-3-fluorobenzonitrile, 4-(4-Acetyl-1-piperazinyl)-3-fluorobenzonitrile, 4-(4-Acetyl-piperazin-1-yl)-3-fluoro-benzonitrile
| Molecular Formula | C13H14FN3O |
|---|---|
| Molecular Weight | 247.11 g/mol |
| LogP | 1.36588 |
| Topological Polar Surface Area | 47.34 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 247.11209 |
| Heavy Atoms | 18 |
| Complexity | 501.4481 |
Chemical Identifiers
| CAS Number | 878620-27-0 |
|---|---|
| SMILES | CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C#N)F |
Product Overview
4-(4-Acetyl-1-piperazinyl)-3-fluorobenzonitrile (CAS 878620-27-0), with molecular formula C13H14FN3O and molecular weight 247.11 g/mol. IUPAC: 4-(4-acetylpiperazin-1-yl)-3-fluorobenzonitrile.
Chemical Property Profile of 4-(4-Acetyl-1-piperazinyl)-3-fluorobenzonitrile
Property Insights of 4-(4-Acetyl-1-piperazinyl)-3-fluorobenzonitrile
The XLogP value of 1.36588 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Acetyl-1-piperazinyl)-3-fluorobenzonitrile. With a topological polar surface area (TPSA) of 47.34 Ų, 4-(4-Acetyl-1-piperazinyl)-3-fluorobenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Acetyl-1-piperazinyl)-3-fluorobenzonitrile has 0 hydrogen bond donor(s) and 3 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 4-(4-Acetyl-1-piperazinyl)-3-fluorobenzonitrile?
The CAS number of 4-(4-Acetyl-1-piperazinyl)-3-fluorobenzonitrile is 878620-27-0.
What is the molecular formula of 4-(4-Acetyl-1-piperazinyl)-3-fluorobenzonitrile?
The molecular formula of 4-(4-Acetyl-1-piperazinyl)-3-fluorobenzonitrile is C13H14FN3O.
What is the molecular weight of 4-(4-Acetyl-1-piperazinyl)-3-fluorobenzonitrile?
The molecular weight of 4-(4-Acetyl-1-piperazinyl)-3-fluorobenzonitrile is 247.11 g/mol.
Where can I buy 4-(4-Acetyl-1-piperazinyl)-3-fluorobenzonitrile?
You can request a quote for 4-(4-Acetyl-1-piperazinyl)-3-fluorobenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Acetyl-1-piperazinyl)-3-fluorobenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Acetyl-1-piperazinyl)-3-fluorobenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.