5-benzoyl-2-(4-phenylpiperazin-1-yl)-1H-pyrrole-3-carbonitrile
TL;DR: 5-benzoyl-2-(4-phenylpiperazin-1-yl)-1H-pyrrole-3-carbonitrile (CAS 338758-13-7) is a chemical compound with molecular formula C22H20N4O and molecular weight 356.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzoyl-2-(4-phenylpiperazin-1-yl)-1H-pyrrole-3-carbonitrile
Also Known As: Bionet1_000891, 5-benzoyl-2-(4-phenylpiperazin-1-yl)-1H-pyrrole-3-carbonitrile, 5-benzoyl-2-(4-phenylpiperazino)-1H-pyrrole-3-carbonitrile, 5F-958
| Molecular Formula | C22H20N4O |
|---|---|
| Molecular Weight | 356.16 g/mol |
| LogP | 3.44398 |
| Topological Polar Surface Area | 63.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 356.1637 |
| Heavy Atoms | 27 |
| Complexity | 964.5523 |
Chemical Identifiers
| CAS Number | 338758-13-7 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC=C2)C3=C(C=C(N3)C(=O)C4=CC=CC=C4)C#N |
Product Overview
5-benzoyl-2-(4-phenylpiperazin-1-yl)-1H-pyrrole-3-carbonitrile (CAS 338758-13-7), with molecular formula C22H20N4O and molecular weight 356.16 g/mol. IUPAC: 5-benzoyl-2-(4-phenylpiperazin-1-yl)-1H-pyrrole-3-carbonitrile.
Chemical Property Profile of 5-benzoyl-2-(4-phenylpiperazin-1-yl)-1H-pyrrole-3-carbonitrile
Property Insights of 5-benzoyl-2-(4-phenylpiperazin-1-yl)-1H-pyrrole-3-carbonitrile
The XLogP value of 3.44398 indicates that 5-benzoyl-2-(4-phenylpiperazin-1-yl)-1H-pyrrole-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-benzoyl-2-(4-phenylpiperazin-1-yl)-1H-pyrrole-3-carbonitrile. Following Lipinski's Rule of Five, 5-benzoyl-2-(4-phenylpiperazin-1-yl)-1H-pyrrole-3-carbonitrile 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 5-benzoyl-2-(4-phenylpiperazin-1-yl)-1H-pyrrole-3-carbonitrile?
The CAS number of 5-benzoyl-2-(4-phenylpiperazin-1-yl)-1H-pyrrole-3-carbonitrile is 338758-13-7.
What is the molecular formula of 5-benzoyl-2-(4-phenylpiperazin-1-yl)-1H-pyrrole-3-carbonitrile?
The molecular formula of 5-benzoyl-2-(4-phenylpiperazin-1-yl)-1H-pyrrole-3-carbonitrile is C22H20N4O.
What is the molecular weight of 5-benzoyl-2-(4-phenylpiperazin-1-yl)-1H-pyrrole-3-carbonitrile?
The molecular weight of 5-benzoyl-2-(4-phenylpiperazin-1-yl)-1H-pyrrole-3-carbonitrile is 356.16 g/mol.
Where can I buy 5-benzoyl-2-(4-phenylpiperazin-1-yl)-1H-pyrrole-3-carbonitrile?
You can request a quote for 5-benzoyl-2-(4-phenylpiperazin-1-yl)-1H-pyrrole-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-benzoyl-2-(4-phenylpiperazin-1-yl)-1H-pyrrole-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-benzoyl-2-(4-phenylpiperazin-1-yl)-1H-pyrrole-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.