1-Piperazinebutanenitrile, 4-(2-pyrimidinyl)-
TL;DR: 1-Piperazinebutanenitrile, 4-(2-pyrimidinyl)- (CAS 33386-14-0) is a chemical compound with molecular formula C12H17N5 and molecular weight 231.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-pyrimidin-2-ylpiperazin-1-yl)butanenitrile
Also Known As: 1-Piperazinebutanenitrile, 4-(2-pyrimidinyl)-, 4-(4-pyrimidin-2-ylpiperazin-1-yl)butanenitrile, 1-(3-cyanopropyl)-4-(2-pyrimidinyl)-piperazine, 1-(3-cyanopropyl)-4-(2-pyrimidinyl)piperazine, 4-(2-pyrimidinyl)-1-(3-cyanopropyl)piperazine
| Molecular Formula | C12H17N5 |
|---|---|
| Molecular Weight | 231.15 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 56.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 231.14839 |
| Heavy Atoms | 17 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 33386-14-0 |
|---|---|
| SMILES | C1CN(CCN1CCCC#N)C2=NC=CC=N2 |
| InChIKey | YSPSCGBXXQSAFS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Piperazinebutanenitrile, 4-(2-pyrimidinyl)- (CAS 33386-14-0), with molecular formula C12H17N5 and molecular weight 231.15 g/mol. IUPAC: 4-(4-pyrimidin-2-ylpiperazin-1-yl)butanenitrile.
Chemical Property Profile of 1-Piperazinebutanenitrile, 4-(2-pyrimidinyl)-
Property Insights of 1-Piperazinebutanenitrile, 4-(2-pyrimidinyl)-
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Piperazinebutanenitrile, 4-(2-pyrimidinyl)-. With a topological polar surface area (TPSA) of 56.1 Ų, 1-Piperazinebutanenitrile, 4-(2-pyrimidinyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Piperazinebutanenitrile, 4-(2-pyrimidinyl)- has 0 hydrogen bond donor(s) and 5 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-Piperazinebutanenitrile, 4-(2-pyrimidinyl)-?
The CAS number of 1-Piperazinebutanenitrile, 4-(2-pyrimidinyl)- is 33386-14-0.
What is the molecular formula of 1-Piperazinebutanenitrile, 4-(2-pyrimidinyl)-?
The molecular formula of 1-Piperazinebutanenitrile, 4-(2-pyrimidinyl)- is C12H17N5.
What is the molecular weight of 1-Piperazinebutanenitrile, 4-(2-pyrimidinyl)-?
The molecular weight of 1-Piperazinebutanenitrile, 4-(2-pyrimidinyl)- is 231.15 g/mol.
Where can I buy 1-Piperazinebutanenitrile, 4-(2-pyrimidinyl)-?
You can request a quote for 1-Piperazinebutanenitrile, 4-(2-pyrimidinyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Piperazinebutanenitrile, 4-(2-pyrimidinyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1-Piperazinebutanenitrile, 4-(2-pyrimidinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.