3-Imino-3-(4-phenylpiperazino)propanenitrile
TL;DR: 3-Imino-3-(4-phenylpiperazino)propanenitrile (CAS 338396-67-1) is a chemical compound with molecular formula C13H16N4 and molecular weight 228.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-imino-3-(4-phenylpiperazin-1-yl)propanenitrile
Also Known As: 3-imino-3-(4-phenylpiperazino)propanenitrile, iminophenylpiperazinopropanenitrile, 3-imino-3-(4-phenylpiperazin-1-yl)propanenitrile, 3-imino-3-(4-phenylpiperazinyl)propanenitrile
| Molecular Formula | C13H16N4 |
|---|---|
| Molecular Weight | 228.14 g/mol |
| LogP | 1.69955 |
| Topological Polar Surface Area | 54.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.1375 |
| Heavy Atoms | 17 |
| Complexity | 412.79565 |
Chemical Identifiers
| CAS Number | 338396-67-1 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC=C2)C(=N)CC#N |
Product Overview
3-Imino-3-(4-phenylpiperazino)propanenitrile (CAS 338396-67-1), with molecular formula C13H16N4 and molecular weight 228.14 g/mol. IUPAC: 3-imino-3-(4-phenylpiperazin-1-yl)propanenitrile.
Chemical Property Profile of 3-Imino-3-(4-phenylpiperazino)propanenitrile
Property Insights of 3-Imino-3-(4-phenylpiperazino)propanenitrile
The XLogP value of 1.69955 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Imino-3-(4-phenylpiperazino)propanenitrile. With a topological polar surface area (TPSA) of 54.12 Ų, 3-Imino-3-(4-phenylpiperazino)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Imino-3-(4-phenylpiperazino)propanenitrile has 1 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 3-Imino-3-(4-phenylpiperazino)propanenitrile?
The CAS number of 3-Imino-3-(4-phenylpiperazino)propanenitrile is 338396-67-1.
What is the molecular formula of 3-Imino-3-(4-phenylpiperazino)propanenitrile?
The molecular formula of 3-Imino-3-(4-phenylpiperazino)propanenitrile is C13H16N4.
What is the molecular weight of 3-Imino-3-(4-phenylpiperazino)propanenitrile?
The molecular weight of 3-Imino-3-(4-phenylpiperazino)propanenitrile is 228.14 g/mol.
Where can I buy 3-Imino-3-(4-phenylpiperazino)propanenitrile?
You can request a quote for 3-Imino-3-(4-phenylpiperazino)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Imino-3-(4-phenylpiperazino)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Imino-3-(4-phenylpiperazino)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.