3-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)propanamide
TL;DR: 3-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)propanamide (CAS 100222-05-7) is a chemical compound with molecular formula C20H24FN3O and molecular weight 341.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)propanamide
Also Known As: 3-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)propanamide, BAS 03086938, AT-057/43314935, 4-Benzyl-N-(2-fluorophenyl)piperazine-1-propanamide, N-(2-fluorophenyl)-3-[4-benzylpiperazinyl]propanamide
| Molecular Formula | C20H24FN3O |
|---|---|
| Molecular Weight | 341.19 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 35.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 341.19034 |
| Heavy Atoms | 25 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 100222-05-7 |
|---|---|
| SMILES | C1CN(CCN1CCC(=O)NC2=CC=CC=C2F)CC3=CC=CC=C3 |
| InChIKey | MQSSJGZUEXNJCQ-UHFFFAOYSA-N |
Product Overview
3-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)propanamide (CAS 100222-05-7), with molecular formula C20H24FN3O and molecular weight 341.19 g/mol. IUPAC: 3-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)propanamide.
Chemical Property Profile of 3-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)propanamide
Property Insights of 3-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)propanamide
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)propanamide. With a topological polar surface area (TPSA) of 35.6 Ų, 3-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)propanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)propanamide has 1 hydrogen bond donor(s) and 4 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 3-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)propanamide?
The CAS number of 3-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)propanamide is 100222-05-7.
What is the molecular formula of 3-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)propanamide?
The molecular formula of 3-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)propanamide is C20H24FN3O.
What is the molecular weight of 3-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)propanamide?
The molecular weight of 3-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)propanamide is 341.19 g/mol.
Where can I buy 3-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)propanamide?
You can request a quote for 3-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.