4-(4-Ethylpiperazine-1-carbonyl)benzonitrile
TL;DR: 4-(4-Ethylpiperazine-1-carbonyl)benzonitrile (CAS 734544-43-5) is a chemical compound with molecular formula C14H17N3O and molecular weight 243.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-ethylpiperazine-1-carbonyl)benzonitrile
Also Known As: 4-(4-ethylpiperazine-1-carbonyl)benzonitrile
| Molecular Formula | C14H17N3O |
|---|---|
| Molecular Weight | 243.14 g/mol |
| LogP | 1.33598 |
| Topological Polar Surface Area | 47.34 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 243.13716 |
| Heavy Atoms | 18 |
| Complexity | 452.9226 |
Chemical Identifiers
| CAS Number | 734544-43-5 |
|---|---|
| SMILES | CCN1CCN(CC1)C(=O)C2=CC=C(C=C2)C#N |
Product Overview
4-(4-Ethylpiperazine-1-carbonyl)benzonitrile (CAS 734544-43-5), with molecular formula C14H17N3O and molecular weight 243.14 g/mol. IUPAC: 4-(4-ethylpiperazine-1-carbonyl)benzonitrile.
Chemical Property Profile of 4-(4-Ethylpiperazine-1-carbonyl)benzonitrile
Property Insights of 4-(4-Ethylpiperazine-1-carbonyl)benzonitrile
The XLogP value of 1.33598 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Ethylpiperazine-1-carbonyl)benzonitrile. With a topological polar surface area (TPSA) of 47.34 Ų, 4-(4-Ethylpiperazine-1-carbonyl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Ethylpiperazine-1-carbonyl)benzonitrile 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-Ethylpiperazine-1-carbonyl)benzonitrile?
The CAS number of 4-(4-Ethylpiperazine-1-carbonyl)benzonitrile is 734544-43-5.
What is the molecular formula of 4-(4-Ethylpiperazine-1-carbonyl)benzonitrile?
The molecular formula of 4-(4-Ethylpiperazine-1-carbonyl)benzonitrile is C14H17N3O.
What is the molecular weight of 4-(4-Ethylpiperazine-1-carbonyl)benzonitrile?
The molecular weight of 4-(4-Ethylpiperazine-1-carbonyl)benzonitrile is 243.14 g/mol.
Where can I buy 4-(4-Ethylpiperazine-1-carbonyl)benzonitrile?
You can request a quote for 4-(4-Ethylpiperazine-1-carbonyl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Ethylpiperazine-1-carbonyl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Ethylpiperazine-1-carbonyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.