1-(4-Benzoyl-piperazin-1-yl)-cyclohexanecarbonitrile
TL;DR: 1-(4-Benzoyl-piperazin-1-yl)-cyclohexanecarbonitrile (CAS 309272-73-9) is a chemical compound with molecular formula C18H23N3O and molecular weight 297.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-benzoylpiperazin-1-yl)cyclohexane-1-carbonitrile
Also Known As: BAS 13090810, 1-(4-Benzoyl-piperazin-1-yl)-cyclohexanecarbonitrile, 1-(4-benzoylpiperazin-1-yl)cyclohexane-1-carbonitrile, 1-(4-benzoyl-1-piperazinyl)cyclohexanecarbonitrile, 1-(4-benzoylpiperazin-1-yl)cyclohexanecarbonitrile
| Molecular Formula | C18H23N3O |
|---|---|
| Molecular Weight | 297.18 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 47.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 297.1841 |
| Heavy Atoms | 22 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 309272-73-9 |
|---|---|
| SMILES | C1CCC(CC1)(C#N)N2CCN(CC2)C(=O)C3=CC=CC=C3 |
| InChIKey | NVVSMWAVPNBMAB-UHFFFAOYSA-N |
Product Overview
1-(4-Benzoyl-piperazin-1-yl)-cyclohexanecarbonitrile (CAS 309272-73-9), with molecular formula C18H23N3O and molecular weight 297.18 g/mol. IUPAC: 1-(4-benzoylpiperazin-1-yl)cyclohexane-1-carbonitrile.
Chemical Property Profile of 1-(4-Benzoyl-piperazin-1-yl)-cyclohexanecarbonitrile
Property Insights of 1-(4-Benzoyl-piperazin-1-yl)-cyclohexanecarbonitrile
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Benzoyl-piperazin-1-yl)-cyclohexanecarbonitrile. With a topological polar surface area (TPSA) of 47.3 Ų, 1-(4-Benzoyl-piperazin-1-yl)-cyclohexanecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Benzoyl-piperazin-1-yl)-cyclohexanecarbonitrile 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 1-(4-Benzoyl-piperazin-1-yl)-cyclohexanecarbonitrile?
The CAS number of 1-(4-Benzoyl-piperazin-1-yl)-cyclohexanecarbonitrile is 309272-73-9.
What is the molecular formula of 1-(4-Benzoyl-piperazin-1-yl)-cyclohexanecarbonitrile?
The molecular formula of 1-(4-Benzoyl-piperazin-1-yl)-cyclohexanecarbonitrile is C18H23N3O.
What is the molecular weight of 1-(4-Benzoyl-piperazin-1-yl)-cyclohexanecarbonitrile?
The molecular weight of 1-(4-Benzoyl-piperazin-1-yl)-cyclohexanecarbonitrile is 297.18 g/mol.
Where can I buy 1-(4-Benzoyl-piperazin-1-yl)-cyclohexanecarbonitrile?
You can request a quote for 1-(4-Benzoyl-piperazin-1-yl)-cyclohexanecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Benzoyl-piperazin-1-yl)-cyclohexanecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Benzoyl-piperazin-1-yl)-cyclohexanecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.