![4-Oxo-2-(4-phenylpiperazin-1-yl)-1,3-diazaspiro[5.5]undec-2-ene-5-carbonitrile structure](/static/products/726/726199-18-4.png)
4-Oxo-2-(4-phenylpiperazin-1-yl)-1,3-diazaspiro[5.5]undec-2-ene-5-carbonitrile
TL;DR: 4-Oxo-2-(4-phenylpiperazin-1-yl)-1,3-diazaspiro[5.5]undec-2-ene-5-carbonitrile (CAS 726199-18-4) is a chemical compound with molecular formula C20H25N5O and molecular weight 351.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-2-(4-phenylpiperazin-1-yl)-1,3-diazaspiro[5.5]undec-1-ene-5-carbonitrile
Also Known As: BAS 10853029, 4-oxo-2-(4-phenylpiperazin-1-yl)-1,3-diazaspiro[5.5]undec-2-ene-5-carbonitrile, 2-oxo-4-(4-phenylpiperazinyl)-3,5-diazaspiro[5.5]undec-3-enecarbonitrile, 4-hydroxy-2-(4-phenylpiperazin-1-yl)-1,3-diazaspiro[5.5]undeca-1,3-diene-5-carbonitrile, 4-oxo-2-(4-phenyl-1-piperazinyl)-1,3-diazaspiro[5.5]undec-2-ene-5-carbonitrile
| Molecular Formula | C20H25N5O |
|---|---|
| Molecular Weight | 351.21 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 71.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 351.2059 |
| Heavy Atoms | 26 |
| Complexity | 601.0 |
Chemical Identifiers
| CAS Number | 726199-18-4 |
|---|---|
| SMILES | C1CCC2(CC1)C(C(=O)NC(=N2)N3CCN(CC3)C4=CC=CC=C4)C#N |
| InChIKey | WTPCNJYZYTZVHC-UHFFFAOYSA-N |
Product Overview
4-Oxo-2-(4-phenylpiperazin-1-yl)-1,3-diazaspiro[5.5]undec-2-ene-5-carbonitrile (CAS 726199-18-4), with molecular formula C20H25N5O and molecular weight 351.21 g/mol. IUPAC: 4-oxo-2-(4-phenylpiperazin-1-yl)-1,3-diazaspiro[5.5]undec-1-ene-5-carbonitrile.
Chemical Property Profile of 4-Oxo-2-(4-phenylpiperazin-1-yl)-1,3-diazaspiro[5.5]undec-2-ene-5-carbonitrile
Property Insights of 4-Oxo-2-(4-phenylpiperazin-1-yl)-1,3-diazaspiro[5.5]undec-2-ene-5-carbonitrile
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Oxo-2-(4-phenylpiperazin-1-yl)-1,3-diazaspiro[5.5]undec-2-ene-5-carbonitrile. The TPSA of 71.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Oxo-2-(4-phenylpiperazin-1-yl)-1,3-diazaspiro[5.5]undec-2-ene-5-carbonitrile. Following Lipinski's Rule of Five, 4-Oxo-2-(4-phenylpiperazin-1-yl)-1,3-diazaspiro[5.5]undec-2-ene-5-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 4-Oxo-2-(4-phenylpiperazin-1-yl)-1,3-diazaspiro[5.5]undec-2-ene-5-carbonitrile?
The CAS number of 4-Oxo-2-(4-phenylpiperazin-1-yl)-1,3-diazaspiro[5.5]undec-2-ene-5-carbonitrile is 726199-18-4.
What is the molecular formula of 4-Oxo-2-(4-phenylpiperazin-1-yl)-1,3-diazaspiro[5.5]undec-2-ene-5-carbonitrile?
The molecular formula of 4-Oxo-2-(4-phenylpiperazin-1-yl)-1,3-diazaspiro[5.5]undec-2-ene-5-carbonitrile is C20H25N5O.
What is the molecular weight of 4-Oxo-2-(4-phenylpiperazin-1-yl)-1,3-diazaspiro[5.5]undec-2-ene-5-carbonitrile?
The molecular weight of 4-Oxo-2-(4-phenylpiperazin-1-yl)-1,3-diazaspiro[5.5]undec-2-ene-5-carbonitrile is 351.21 g/mol.
Where can I buy 4-Oxo-2-(4-phenylpiperazin-1-yl)-1,3-diazaspiro[5.5]undec-2-ene-5-carbonitrile?
You can request a quote for 4-Oxo-2-(4-phenylpiperazin-1-yl)-1,3-diazaspiro[5.5]undec-2-ene-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Oxo-2-(4-phenylpiperazin-1-yl)-1,3-diazaspiro[5.5]undec-2-ene-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Oxo-2-(4-phenylpiperazin-1-yl)-1,3-diazaspiro[5.5]undec-2-ene-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.