3-(Dimethylamino)-2-(4-methylpiperazine-1-carbonyl)prop-2-enenitrile
TL;DR: 3-(Dimethylamino)-2-(4-methylpiperazine-1-carbonyl)prop-2-enenitrile (CAS 551930-69-9) is a chemical compound with molecular formula C11H18N4O and molecular weight 222.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(dimethylamino)-2-(4-methylpiperazine-1-carbonyl)prop-2-enenitrile
Also Known As: 3-(dimethylamino)-2-(4-methylpiperazine-1-carbonyl)prop-2-enenitrile, 3-dimethylamino-2-(4-methylpiperazine-1-carbonyl)prop-2-enenitrile, (E)-3-(dimethylamino)-2-[(4-methylpiperazino)carbonyl]-2-propenenitrile, I+/--[(Dimethylamino)methylene]-4-methyl-I(2)-oxo-1-piperazinepropanenitrile
| Molecular Formula | C11H18N4O |
|---|---|
| Molecular Weight | 222.15 g/mol |
| LogP | -0.27052 |
| Topological Polar Surface Area | 50.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.14806 |
| Heavy Atoms | 16 |
| Complexity | 321.3665 |
Chemical Identifiers
| CAS Number | 551930-69-9 |
|---|---|
| SMILES | CN1CCN(CC1)C(=O)C(=CN(C)C)C#N |
Product Overview
3-(Dimethylamino)-2-(4-methylpiperazine-1-carbonyl)prop-2-enenitrile (CAS 551930-69-9), with molecular formula C11H18N4O and molecular weight 222.15 g/mol. IUPAC: 3-(dimethylamino)-2-(4-methylpiperazine-1-carbonyl)prop-2-enenitrile.
Chemical Property Profile of 3-(Dimethylamino)-2-(4-methylpiperazine-1-carbonyl)prop-2-enenitrile
Property Insights of 3-(Dimethylamino)-2-(4-methylpiperazine-1-carbonyl)prop-2-enenitrile
The XLogP value of -0.27052 indicates that 3-(Dimethylamino)-2-(4-methylpiperazine-1-carbonyl)prop-2-enenitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 50.58 Ų, 3-(Dimethylamino)-2-(4-methylpiperazine-1-carbonyl)prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Dimethylamino)-2-(4-methylpiperazine-1-carbonyl)prop-2-enenitrile has 0 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-(Dimethylamino)-2-(4-methylpiperazine-1-carbonyl)prop-2-enenitrile?
The CAS number of 3-(Dimethylamino)-2-(4-methylpiperazine-1-carbonyl)prop-2-enenitrile is 551930-69-9.
What is the molecular formula of 3-(Dimethylamino)-2-(4-methylpiperazine-1-carbonyl)prop-2-enenitrile?
The molecular formula of 3-(Dimethylamino)-2-(4-methylpiperazine-1-carbonyl)prop-2-enenitrile is C11H18N4O.
What is the molecular weight of 3-(Dimethylamino)-2-(4-methylpiperazine-1-carbonyl)prop-2-enenitrile?
The molecular weight of 3-(Dimethylamino)-2-(4-methylpiperazine-1-carbonyl)prop-2-enenitrile is 222.15 g/mol.
Where can I buy 3-(Dimethylamino)-2-(4-methylpiperazine-1-carbonyl)prop-2-enenitrile?
You can request a quote for 3-(Dimethylamino)-2-(4-methylpiperazine-1-carbonyl)prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Dimethylamino)-2-(4-methylpiperazine-1-carbonyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(Dimethylamino)-2-(4-methylpiperazine-1-carbonyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.