![2-({[4-(4-Pentylcyclohexyl)phenyl]imino}methyl)malononitrile structure](/static/products/4778/477890-30-5.webp)
2-({[4-(4-Pentylcyclohexyl)phenyl]imino}methyl)malononitrile
TL;DR: 2-({[4-(4-Pentylcyclohexyl)phenyl]imino}methyl)malononitrile (CAS 477890-30-5) is a chemical compound with molecular formula C21H27N3 and molecular weight 321.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-pentylcyclohexyl)phenyl]iminomethyl]propanedinitrile
Also Known As: 2-({[4-(4-pentylcyclohexyl)phenyl]imino}methyl)malononitrile, 2R-0844, 2-[[4-(4-pentylcyclohexyl)phenyl]iminomethyl]propanedinitrile, 2-[(1E)-{[4-(4-pentylcyclohexyl)phenyl]imino}methyl]propanedinitrile
| Molecular Formula | C21H27N3 |
|---|---|
| Molecular Weight | 321.22 g/mol |
| LogP | 5.90636 |
| Topological Polar Surface Area | 59.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 321.2205 |
| Heavy Atoms | 24 |
| Complexity | 581.4564 |
Chemical Identifiers
| CAS Number | 477890-30-5 |
|---|---|
| SMILES | CCCCCC1CCC(CC1)C2=CC=C(C=C2)N=CC(C#N)C#N |
Product Overview
2-({[4-(4-Pentylcyclohexyl)phenyl]imino}methyl)malononitrile (CAS 477890-30-5), with molecular formula C21H27N3 and molecular weight 321.22 g/mol. IUPAC: 2-[[4-(4-pentylcyclohexyl)phenyl]iminomethyl]propanedinitrile.
Chemical Property Profile of 2-({[4-(4-Pentylcyclohexyl)phenyl]imino}methyl)malononitrile
Property Insights of 2-({[4-(4-Pentylcyclohexyl)phenyl]imino}methyl)malononitrile
The XLogP value of 5.90636 indicates that 2-({[4-(4-Pentylcyclohexyl)phenyl]imino}methyl)malononitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.94 Ų, 2-({[4-(4-Pentylcyclohexyl)phenyl]imino}methyl)malononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-({[4-(4-Pentylcyclohexyl)phenyl]imino}methyl)malononitrile has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-({[4-(4-Pentylcyclohexyl)phenyl]imino}methyl)malononitrile?
The CAS number of 2-({[4-(4-Pentylcyclohexyl)phenyl]imino}methyl)malononitrile is 477890-30-5.
What is the molecular formula of 2-({[4-(4-Pentylcyclohexyl)phenyl]imino}methyl)malononitrile?
The molecular formula of 2-({[4-(4-Pentylcyclohexyl)phenyl]imino}methyl)malononitrile is C21H27N3.
What is the molecular weight of 2-({[4-(4-Pentylcyclohexyl)phenyl]imino}methyl)malononitrile?
The molecular weight of 2-({[4-(4-Pentylcyclohexyl)phenyl]imino}methyl)malononitrile is 321.22 g/mol.
Where can I buy 2-({[4-(4-Pentylcyclohexyl)phenyl]imino}methyl)malononitrile?
You can request a quote for 2-({[4-(4-Pentylcyclohexyl)phenyl]imino}methyl)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-Pentylcyclohexyl)phenyl]imino}methyl)malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-({[4-(4-Pentylcyclohexyl)phenyl]imino}methyl)malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.