![2-[4-Morpholinyl(phenyl)methylene]malononitrile structure](/static/products/111/111509-91-2.png)
2-[4-Morpholinyl(phenyl)methylene]malononitrile
TL;DR: 2-[4-Morpholinyl(phenyl)methylene]malononitrile (CAS 111509-91-2) is a chemical compound with molecular formula C14H13N3O and molecular weight 239.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[morpholin-4-yl(phenyl)methylidene]propanedinitrile
Also Known As: 2-[4-morpholinyl(phenyl)methylene]malononitrile, 2-(4-(morpholin-2-yl)benzylidene)malononitrile, 2-[morpholin-4-yl(phenyl)methylidene]propanedinitrile, AE-848/32786064, (morpholin-4-ylphenylmethylene)methane-1,1-dicarbonitrile
| Molecular Formula | C14H13N3O |
|---|---|
| Molecular Weight | 239.11 g/mol |
| LogP | 1.77706 |
| Topological Polar Surface Area | 60.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.10587 |
| Heavy Atoms | 18 |
| Complexity | 500.21036 |
Chemical Identifiers
| CAS Number | 111509-91-2 |
|---|---|
| SMILES | C1COCCN1C(=C(C#N)C#N)C2=CC=CC=C2 |
Product Overview
2-[4-Morpholinyl(phenyl)methylene]malononitrile (CAS 111509-91-2), with molecular formula C14H13N3O and molecular weight 239.11 g/mol. IUPAC: 2-[morpholin-4-yl(phenyl)methylidene]propanedinitrile.
Chemical Property Profile of 2-[4-Morpholinyl(phenyl)methylene]malononitrile
Property Insights of 2-[4-Morpholinyl(phenyl)methylene]malononitrile
The XLogP value of 1.77706 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[4-Morpholinyl(phenyl)methylene]malononitrile. The TPSA of 60.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-Morpholinyl(phenyl)methylene]malononitrile. Following Lipinski's Rule of Five, 2-[4-Morpholinyl(phenyl)methylene]malononitrile has 0 hydrogen bond donor(s) and 4 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-Morpholinyl(phenyl)methylene]malononitrile?
The CAS number of 2-[4-Morpholinyl(phenyl)methylene]malononitrile is 111509-91-2.
What is the molecular formula of 2-[4-Morpholinyl(phenyl)methylene]malononitrile?
The molecular formula of 2-[4-Morpholinyl(phenyl)methylene]malononitrile is C14H13N3O.
What is the molecular weight of 2-[4-Morpholinyl(phenyl)methylene]malononitrile?
The molecular weight of 2-[4-Morpholinyl(phenyl)methylene]malononitrile is 239.11 g/mol.
Where can I buy 2-[4-Morpholinyl(phenyl)methylene]malononitrile?
You can request a quote for 2-[4-Morpholinyl(phenyl)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-Morpholinyl(phenyl)methylene]malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-Morpholinyl(phenyl)methylene]malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.