2-((Dimethylamino)(4-phenylpiperazino)methylene)malononitrile
TL;DR: 2-((Dimethylamino)(4-phenylpiperazino)methylene)malononitrile (CAS 339022-97-8) is a chemical compound with molecular formula C16H19N5 and molecular weight 281.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[dimethylamino-(4-phenylpiperazin-1-yl)methylidene]propanedinitrile
Also Known As: 2-((Dimethylamino)(4-phenylpiperazino)methylene)malononitrile, 8D-096, 2-[dimethylamino-(4-phenylpiperazin-1-yl)methylidene]propanedinitrile, 2-[(dimethylamino)(4-phenylpiperazino)methylene]malononitrile, 2-[(dimethylamino)(4-phenylpiperazin-1-yl)methylidene]propanedinitrile
| Molecular Formula | C16H19N5 |
|---|---|
| Molecular Weight | 281.16 g/mol |
| LogP | 1.62896 |
| Topological Polar Surface Area | 57.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.16403 |
| Heavy Atoms | 21 |
| Complexity | 567.3336 |
Chemical Identifiers
| CAS Number | 339022-97-8 |
|---|---|
| SMILES | CN(C)C(=C(C#N)C#N)N1CCN(CC1)C2=CC=CC=C2 |
Product Overview
2-((Dimethylamino)(4-phenylpiperazino)methylene)malononitrile (CAS 339022-97-8), with molecular formula C16H19N5 and molecular weight 281.16 g/mol. IUPAC: 2-[dimethylamino-(4-phenylpiperazin-1-yl)methylidene]propanedinitrile.
Chemical Property Profile of 2-((Dimethylamino)(4-phenylpiperazino)methylene)malononitrile
Property Insights of 2-((Dimethylamino)(4-phenylpiperazino)methylene)malononitrile
The XLogP value of 1.62896 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((Dimethylamino)(4-phenylpiperazino)methylene)malononitrile. With a topological polar surface area (TPSA) of 57.3 Ų, 2-((Dimethylamino)(4-phenylpiperazino)methylene)malononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((Dimethylamino)(4-phenylpiperazino)methylene)malononitrile 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 2-((Dimethylamino)(4-phenylpiperazino)methylene)malononitrile?
The CAS number of 2-((Dimethylamino)(4-phenylpiperazino)methylene)malononitrile is 339022-97-8.
What is the molecular formula of 2-((Dimethylamino)(4-phenylpiperazino)methylene)malononitrile?
The molecular formula of 2-((Dimethylamino)(4-phenylpiperazino)methylene)malononitrile is C16H19N5.
What is the molecular weight of 2-((Dimethylamino)(4-phenylpiperazino)methylene)malononitrile?
The molecular weight of 2-((Dimethylamino)(4-phenylpiperazino)methylene)malononitrile is 281.16 g/mol.
Where can I buy 2-((Dimethylamino)(4-phenylpiperazino)methylene)malononitrile?
You can request a quote for 2-((Dimethylamino)(4-phenylpiperazino)methylene)malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((Dimethylamino)(4-phenylpiperazino)methylene)malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-((Dimethylamino)(4-phenylpiperazino)methylene)malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.