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2-[[4-(4-Chlorophenyl)piperazino](dimethylamino)methylene]malononitrile
TL;DR: 2-[[4-(4-Chlorophenyl)piperazino](dimethylamino)methylene]malononitrile (CAS 339023-35-7) is a chemical compound with molecular formula C16H18ClN5 and molecular weight 315.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-chlorophenyl)piperazin-1-yl]-(dimethylamino)methylidene]propanedinitrile
Also Known As: 2-[[4-(4-chlorophenyl)piperazino](dimethylamino)methylene]malononitrile, 2-{[4-(4-chlorophenyl)piperazin-1-yl](dimethylamino)methylidene}propanedinitrile, 2-[[4-(4-chlorophenyl)piperazin-1-yl]-(dimethylamino)methylidene]propanedinitrile, 2-((4-(4-Chlorophenyl)piperazino)(dimethylamino)methylene)malononitrile, 2-4-(4-Chlorophenyl)piperazino(dimethylamino)methylenemalononitrile
| Molecular Formula | C16H18ClN5 |
|---|---|
| Molecular Weight | 315.13 g/mol |
| LogP | 2.28236 |
| Topological Polar Surface Area | 57.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.12506 |
| Heavy Atoms | 22 |
| Complexity | 611.9854 |
Chemical Identifiers
| CAS Number | 339023-35-7 |
|---|---|
| SMILES | CN(C)C(=C(C#N)C#N)N1CCN(CC1)C2=CC=C(C=C2)Cl |
Product Overview
2-[[4-(4-Chlorophenyl)piperazino](dimethylamino)methylene]malononitrile (CAS 339023-35-7), with molecular formula C16H18ClN5 and molecular weight 315.13 g/mol. IUPAC: 2-[[4-(4-chlorophenyl)piperazin-1-yl]-(dimethylamino)methylidene]propanedinitrile.
Chemical Property Profile of 2-[[4-(4-Chlorophenyl)piperazino](dimethylamino)methylene]malononitrile
Property Insights of 2-[[4-(4-Chlorophenyl)piperazino](dimethylamino)methylene]malononitrile
The XLogP value of 2.28236 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[[4-(4-Chlorophenyl)piperazino](dimethylamino)methylene]malononitrile. With a topological polar surface area (TPSA) of 57.3 Ų, 2-[[4-(4-Chlorophenyl)piperazino](dimethylamino)methylene]malononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[[4-(4-Chlorophenyl)piperazino](dimethylamino)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-[[4-(4-Chlorophenyl)piperazino](dimethylamino)methylene]malononitrile?
The CAS number of 2-[[4-(4-Chlorophenyl)piperazino](dimethylamino)methylene]malononitrile is 339023-35-7.
What is the molecular formula of 2-[[4-(4-Chlorophenyl)piperazino](dimethylamino)methylene]malononitrile?
The molecular formula of 2-[[4-(4-Chlorophenyl)piperazino](dimethylamino)methylene]malononitrile is C16H18ClN5.
What is the molecular weight of 2-[[4-(4-Chlorophenyl)piperazino](dimethylamino)methylene]malononitrile?
The molecular weight of 2-[[4-(4-Chlorophenyl)piperazino](dimethylamino)methylene]malononitrile is 315.13 g/mol.
Where can I buy 2-[[4-(4-Chlorophenyl)piperazino](dimethylamino)methylene]malononitrile?
You can request a quote for 2-[[4-(4-Chlorophenyl)piperazino](dimethylamino)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-[[4-(4-Chlorophenyl)piperazino](dimethylamino)methylene]malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[[4-(4-Chlorophenyl)piperazino](dimethylamino)methylene]malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.