![Propanedinitrile, [[2-(4-morpholinyl)phenyl]methylene]- structure](/static/products/876/87698-97-3.png)
Propanedinitrile, [[2-(4-morpholinyl)phenyl]methylene]-
TL;DR: Propanedinitrile, [[2-(4-morpholinyl)phenyl]methylene]- (CAS 87698-97-3) 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-[(2-morpholin-4-ylphenyl)methylidene]propanedinitrile
Also Known As: Propanedinitrile, [[2-(4-morpholinyl)phenyl]methylene]-, (2-Morpholin-4-yl-phenyl)-acetonitrile, 2-[(2-morpholin-4-ylphenyl)methylidene]propanedinitrile, 2-(2-morpholinobenzylidene)malononitrile, J2.226.112F
| Molecular Formula | C14H13N3O |
|---|---|
| Molecular Weight | 239.11 g/mol |
| LogP | 1.95376 |
| 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 | 514.70544 |
Chemical Identifiers
| CAS Number | 87698-97-3 |
|---|---|
| SMILES | C1COCCN1C2=CC=CC=C2C=C(C#N)C#N |
Product Overview
Propanedinitrile, [[2-(4-morpholinyl)phenyl]methylene]- (CAS 87698-97-3), with molecular formula C14H13N3O and molecular weight 239.11 g/mol. IUPAC: 2-[(2-morpholin-4-ylphenyl)methylidene]propanedinitrile.
Chemical Property Profile of Propanedinitrile, [[2-(4-morpholinyl)phenyl]methylene]-
Property Insights of Propanedinitrile, [[2-(4-morpholinyl)phenyl]methylene]-
The XLogP value of 1.95376 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanedinitrile, [[2-(4-morpholinyl)phenyl]methylene]-. The TPSA of 60.05 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanedinitrile, [[2-(4-morpholinyl)phenyl]methylene]-. Following Lipinski's Rule of Five, Propanedinitrile, [[2-(4-morpholinyl)phenyl]methylene]- 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 Propanedinitrile, [[2-(4-morpholinyl)phenyl]methylene]-?
The CAS number of Propanedinitrile, [[2-(4-morpholinyl)phenyl]methylene]- is 87698-97-3.
What is the molecular formula of Propanedinitrile, [[2-(4-morpholinyl)phenyl]methylene]-?
The molecular formula of Propanedinitrile, [[2-(4-morpholinyl)phenyl]methylene]- is C14H13N3O.
What is the molecular weight of Propanedinitrile, [[2-(4-morpholinyl)phenyl]methylene]-?
The molecular weight of Propanedinitrile, [[2-(4-morpholinyl)phenyl]methylene]- is 239.11 g/mol.
Where can I buy Propanedinitrile, [[2-(4-morpholinyl)phenyl]methylene]-?
You can request a quote for Propanedinitrile, [[2-(4-morpholinyl)phenyl]methylene]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanedinitrile, [[2-(4-morpholinyl)phenyl]methylene]-?
Yes, KEHONG BIO provides custom synthesis services for Propanedinitrile, [[2-(4-morpholinyl)phenyl]methylene]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.