(4-Pyrrolidin-1-ylbenzylidene)malononitrile
TL;DR: (4-Pyrrolidin-1-ylbenzylidene)malononitrile (CAS 66883-93-0) is a chemical compound with molecular formula C14H13N3 and molecular weight 223.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-pyrrolidin-1-ylphenyl)methylidene]propanedinitrile
Also Known As: (4-pyrrolidin-1-ylbenzylidene)malononitrile, 2-(4-(Pyrrolidin-1-yl)benzylidene)malononitrile, 4-Pyrrolidinobenzylidenmalonitril, BAS 03640227, 2-[(4-pyrrolidin-1-ylphenyl)methylidene]propanedinitrile
| Molecular Formula | C14H13N3 |
|---|---|
| Molecular Weight | 223.11 g/mol |
| LogP | 2.71736 |
| Topological Polar Surface Area | 50.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 223.11095 |
| Heavy Atoms | 17 |
| Complexity | 477.75424 |
Chemical Identifiers
| CAS Number | 66883-93-0 |
|---|---|
| SMILES | C1CCN(C1)C2=CC=C(C=C2)C=C(C#N)C#N |
Product Overview
(4-Pyrrolidin-1-ylbenzylidene)malononitrile (CAS 66883-93-0), with molecular formula C14H13N3 and molecular weight 223.11 g/mol. IUPAC: 2-[(4-pyrrolidin-1-ylphenyl)methylidene]propanedinitrile.
Chemical Property Profile of (4-Pyrrolidin-1-ylbenzylidene)malononitrile
Property Insights of (4-Pyrrolidin-1-ylbenzylidene)malononitrile
The XLogP value of 2.71736 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Pyrrolidin-1-ylbenzylidene)malononitrile. With a topological polar surface area (TPSA) of 50.82 Ų, (4-Pyrrolidin-1-ylbenzylidene)malononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Pyrrolidin-1-ylbenzylidene)malononitrile has 0 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 (4-Pyrrolidin-1-ylbenzylidene)malononitrile?
The CAS number of (4-Pyrrolidin-1-ylbenzylidene)malononitrile is 66883-93-0.
What is the molecular formula of (4-Pyrrolidin-1-ylbenzylidene)malononitrile?
The molecular formula of (4-Pyrrolidin-1-ylbenzylidene)malononitrile is C14H13N3.
What is the molecular weight of (4-Pyrrolidin-1-ylbenzylidene)malononitrile?
The molecular weight of (4-Pyrrolidin-1-ylbenzylidene)malononitrile is 223.11 g/mol.
Where can I buy (4-Pyrrolidin-1-ylbenzylidene)malononitrile?
You can request a quote for (4-Pyrrolidin-1-ylbenzylidene)malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Pyrrolidin-1-ylbenzylidene)malononitrile?
Yes, KEHONG BIO provides custom synthesis services for (4-Pyrrolidin-1-ylbenzylidene)malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.