![3-[4-(6-Chloro-2-pyridinyl)piperazino]-3-iminopropanenitrile structure](/static/products/3387/338794-94-8.webp)
3-[4-(6-Chloro-2-pyridinyl)piperazino]-3-iminopropanenitrile
TL;DR: 3-[4-(6-Chloro-2-pyridinyl)piperazino]-3-iminopropanenitrile (CAS 338794-94-8) is a chemical compound with molecular formula C12H14ClN5 and molecular weight 263.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-3-iminopropanenitrile
Also Known As: 3-[4-(6-chloro-2-pyridinyl)piperazino]-3-iminopropanenitrile, 6H-936, 3-[4-(6-chloropyridin-2-yl)piperazin-1-yl]-3-iminopropanenitrile, 3-[4-(6-chloropyridin-2-yl)piperazin-1-yl]-3-imino-propanenitrile
| Molecular Formula | C12H14ClN5 |
|---|---|
| Molecular Weight | 263.09 g/mol |
| LogP | 1.74795 |
| Topological Polar Surface Area | 67.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 263.09378 |
| Heavy Atoms | 18 |
| Complexity | 473.60126 |
Chemical Identifiers
| CAS Number | 338794-94-8 |
|---|---|
| SMILES | C1CN(CCN1C2=NC(=CC=C2)Cl)C(=N)CC#N |
Product Overview
3-[4-(6-Chloro-2-pyridinyl)piperazino]-3-iminopropanenitrile (CAS 338794-94-8), with molecular formula C12H14ClN5 and molecular weight 263.09 g/mol. IUPAC: 3-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-3-iminopropanenitrile.
Chemical Property Profile of 3-[4-(6-Chloro-2-pyridinyl)piperazino]-3-iminopropanenitrile
Property Insights of 3-[4-(6-Chloro-2-pyridinyl)piperazino]-3-iminopropanenitrile
The XLogP value of 1.74795 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[4-(6-Chloro-2-pyridinyl)piperazino]-3-iminopropanenitrile. The TPSA of 67.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[4-(6-Chloro-2-pyridinyl)piperazino]-3-iminopropanenitrile. Following Lipinski's Rule of Five, 3-[4-(6-Chloro-2-pyridinyl)piperazino]-3-iminopropanenitrile 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 3-[4-(6-Chloro-2-pyridinyl)piperazino]-3-iminopropanenitrile?
The CAS number of 3-[4-(6-Chloro-2-pyridinyl)piperazino]-3-iminopropanenitrile is 338794-94-8.
What is the molecular formula of 3-[4-(6-Chloro-2-pyridinyl)piperazino]-3-iminopropanenitrile?
The molecular formula of 3-[4-(6-Chloro-2-pyridinyl)piperazino]-3-iminopropanenitrile is C12H14ClN5.
What is the molecular weight of 3-[4-(6-Chloro-2-pyridinyl)piperazino]-3-iminopropanenitrile?
The molecular weight of 3-[4-(6-Chloro-2-pyridinyl)piperazino]-3-iminopropanenitrile is 263.09 g/mol.
Where can I buy 3-[4-(6-Chloro-2-pyridinyl)piperazino]-3-iminopropanenitrile?
You can request a quote for 3-[4-(6-Chloro-2-pyridinyl)piperazino]-3-iminopropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[4-(6-Chloro-2-pyridinyl)piperazino]-3-iminopropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-(6-Chloro-2-pyridinyl)piperazino]-3-iminopropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.