(4-Morpholin-4-ylbenzylidene)malononitrile
TL;DR: (4-Morpholin-4-ylbenzylidene)malononitrile (CAS 66883-92-9) 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-[(4-morpholin-4-ylphenyl)methylidene]propanedinitrile
Also Known As: (4-morpholin-4-ylbenzylidene)malononitrile, 2-(4-Morpholinobenzylidene)malononitrile, (4-Morpholinobenzylidene)malononitrile, benzylidenemalononitrile (BMN) deriv. 6, BAS 00292624
| Molecular Formula | C14H13N3O |
|---|---|
| Molecular Weight | 239.11 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 60.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.10587 |
| Heavy Atoms | 18 |
| Complexity | 379.0 |
Chemical Identifiers
| CAS Number | 66883-92-9 |
|---|---|
| SMILES | C1COCCN1C2=CC=C(C=C2)C=C(C#N)C#N |
| InChIKey | CHKTYKSOGLZPFK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(4-Morpholin-4-ylbenzylidene)malononitrile (CAS 66883-92-9), with molecular formula C14H13N3O and molecular weight 239.11 g/mol. IUPAC: 2-[(4-morpholin-4-ylphenyl)methylidene]propanedinitrile.
Chemical Property Profile of (4-Morpholin-4-ylbenzylidene)malononitrile
Property Insights of (4-Morpholin-4-ylbenzylidene)malononitrile
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Morpholin-4-ylbenzylidene)malononitrile. The TPSA of 60.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Morpholin-4-ylbenzylidene)malononitrile. Following Lipinski's Rule of Five, (4-Morpholin-4-ylbenzylidene)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 (4-Morpholin-4-ylbenzylidene)malononitrile?
The CAS number of (4-Morpholin-4-ylbenzylidene)malononitrile is 66883-92-9.
What is the molecular formula of (4-Morpholin-4-ylbenzylidene)malononitrile?
The molecular formula of (4-Morpholin-4-ylbenzylidene)malononitrile is C14H13N3O.
What is the molecular weight of (4-Morpholin-4-ylbenzylidene)malononitrile?
The molecular weight of (4-Morpholin-4-ylbenzylidene)malononitrile is 239.11 g/mol.
Where can I buy (4-Morpholin-4-ylbenzylidene)malononitrile?
You can request a quote for (4-Morpholin-4-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-Morpholin-4-ylbenzylidene)malononitrile?
Yes, KEHONG BIO provides custom synthesis services for (4-Morpholin-4-ylbenzylidene)malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.