2-(4-((4-(dibutylamino)phenyl)((2-hydroxyethyl)amino)methylene)cyclohexa-2,5-dien-1-ylidene)malononitrile
TL;DR: 2-(4-((4-(dibutylamino)phenyl)((2-hydroxyethyl)amino)methylene)cyclohexa-2,5-dien-1-ylidene)malononitrile (CAS 372171-52-3) is a chemical compound with molecular formula C26H32N4O and molecular weight 416.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[[4-(dibutylamino)phenyl]-(2-hydroxyethylamino)methylidene]cyclohexa-2,5-dien-1-ylidene]propanedinitrile
Also Known As: 2-(4-((4-(dibutylamino)phenyl)((2-hydroxyethyl)amino)methylene)cyclohexa-2,5-dien-1-ylidene)malononitrile, (4-{[4-(dibutylamino)phenyl][(2-hydroxyethyl)amino]methylidene}cyclohexa-2,5-dien-1-ylidene)propanedinitrile, 2-[4-[[4-(dibutylamino)phenyl]-(2-hydroxyethylamino)methylidene]cyclohexa-2,5-dien-1-ylidene]propanedinitrile
| Molecular Formula | C26H32N4O |
|---|---|
| Molecular Weight | 416.26 g/mol |
| LogP | 3.02946 |
| Topological Polar Surface Area | 83.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 416.2576 |
| Heavy Atoms | 31 |
| Complexity | 981.55225 |
Chemical Identifiers
| CAS Number | 372171-52-3 |
|---|---|
| SMILES | CCCCN(CCCC)C1=CC=C(C=C1)C(=C2C=CC(=C(C#N)C#N)C=C2)NCCO |
Product Overview
2-(4-((4-(dibutylamino)phenyl)((2-hydroxyethyl)amino)methylene)cyclohexa-2,5-dien-1-ylidene)malononitrile (CAS 372171-52-3), with molecular formula C26H32N4O and molecular weight 416.26 g/mol. IUPAC: 2-[4-[[4-(dibutylamino)phenyl]-(2-hydroxyethylamino)methylidene]cyclohexa-2,5-dien-1-ylidene]propanedinitrile.
Chemical Property Profile of 2-(4-((4-(dibutylamino)phenyl)((2-hydroxyethyl)amino)methylene)cyclohexa-2,5-dien-1-ylidene)malononitrile
Property Insights of 2-(4-((4-(dibutylamino)phenyl)((2-hydroxyethyl)amino)methylene)cyclohexa-2,5-dien-1-ylidene)malononitrile
The XLogP value of 3.02946 indicates that 2-(4-((4-(dibutylamino)phenyl)((2-hydroxyethyl)amino)methylene)cyclohexa-2,5-dien-1-ylidene)malononitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-((4-(dibutylamino)phenyl)((2-hydroxyethyl)amino)methylene)cyclohexa-2,5-dien-1-ylidene)malononitrile. Following Lipinski's Rule of Five, 2-(4-((4-(dibutylamino)phenyl)((2-hydroxyethyl)amino)methylene)cyclohexa-2,5-dien-1-ylidene)malononitrile has 2 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-(dibutylamino)phenyl)((2-hydroxyethyl)amino)methylene)cyclohexa-2,5-dien-1-ylidene)malononitrile?
The CAS number of 2-(4-((4-(dibutylamino)phenyl)((2-hydroxyethyl)amino)methylene)cyclohexa-2,5-dien-1-ylidene)malononitrile is 372171-52-3.
What is the molecular formula of 2-(4-((4-(dibutylamino)phenyl)((2-hydroxyethyl)amino)methylene)cyclohexa-2,5-dien-1-ylidene)malononitrile?
The molecular formula of 2-(4-((4-(dibutylamino)phenyl)((2-hydroxyethyl)amino)methylene)cyclohexa-2,5-dien-1-ylidene)malononitrile is C26H32N4O.
What is the molecular weight of 2-(4-((4-(dibutylamino)phenyl)((2-hydroxyethyl)amino)methylene)cyclohexa-2,5-dien-1-ylidene)malononitrile?
The molecular weight of 2-(4-((4-(dibutylamino)phenyl)((2-hydroxyethyl)amino)methylene)cyclohexa-2,5-dien-1-ylidene)malononitrile is 416.26 g/mol.
Where can I buy 2-(4-((4-(dibutylamino)phenyl)((2-hydroxyethyl)amino)methylene)cyclohexa-2,5-dien-1-ylidene)malononitrile?
You can request a quote for 2-(4-((4-(dibutylamino)phenyl)((2-hydroxyethyl)amino)methylene)cyclohexa-2,5-dien-1-ylidene)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-(dibutylamino)phenyl)((2-hydroxyethyl)amino)methylene)cyclohexa-2,5-dien-1-ylidene)malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-((4-(dibutylamino)phenyl)((2-hydroxyethyl)amino)methylene)cyclohexa-2,5-dien-1-ylidene)malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.