4-(3,4-Dimethylphenoxy)-5-(4-morpholinyl)phthalonitrile
TL;DR: 4-(3,4-Dimethylphenoxy)-5-(4-morpholinyl)phthalonitrile (CAS 825602-55-9) is a chemical compound with molecular formula C20H19N3O2 and molecular weight 333.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,4-dimethylphenoxy)-5-morpholin-4-ylbenzene-1,2-dicarbonitrile
Also Known As: 4-(3,4-dimethylphenoxy)-5-(4-morpholinyl)phthalonitrile, 4-(3,4-dimethylphenoxy)-5-morpholin-4-ylbenzene-1,2-dicarbonitrile, 2-CYANO-4-(3,4-DIMETHYLPHENOXY)-5-MORPHOLINOPHENYL CYANIDE, 4-(3,4-dimethylphenoxy)-5-(morpholin-4-yl)benzene-1,2-dicarbonitrile
| Molecular Formula | C20H19N3O2 |
|---|---|
| Molecular Weight | 333.15 g/mol |
| LogP | 3.6757 |
| Topological Polar Surface Area | 69.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 333.14774 |
| Heavy Atoms | 25 |
| Complexity | 871.7307 |
Chemical Identifiers
| CAS Number | 825602-55-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)OC2=C(C=C(C(=C2)C#N)C#N)N3CCOCC3)C |
Product Overview
4-(3,4-Dimethylphenoxy)-5-(4-morpholinyl)phthalonitrile (CAS 825602-55-9), with molecular formula C20H19N3O2 and molecular weight 333.15 g/mol. IUPAC: 4-(3,4-dimethylphenoxy)-5-morpholin-4-ylbenzene-1,2-dicarbonitrile.
Chemical Property Profile of 4-(3,4-Dimethylphenoxy)-5-(4-morpholinyl)phthalonitrile
Property Insights of 4-(3,4-Dimethylphenoxy)-5-(4-morpholinyl)phthalonitrile
The XLogP value of 3.6757 indicates that 4-(3,4-Dimethylphenoxy)-5-(4-morpholinyl)phthalonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3,4-Dimethylphenoxy)-5-(4-morpholinyl)phthalonitrile. Following Lipinski's Rule of Five, 4-(3,4-Dimethylphenoxy)-5-(4-morpholinyl)phthalonitrile has 0 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 4-(3,4-Dimethylphenoxy)-5-(4-morpholinyl)phthalonitrile?
The CAS number of 4-(3,4-Dimethylphenoxy)-5-(4-morpholinyl)phthalonitrile is 825602-55-9.
What is the molecular formula of 4-(3,4-Dimethylphenoxy)-5-(4-morpholinyl)phthalonitrile?
The molecular formula of 4-(3,4-Dimethylphenoxy)-5-(4-morpholinyl)phthalonitrile is C20H19N3O2.
What is the molecular weight of 4-(3,4-Dimethylphenoxy)-5-(4-morpholinyl)phthalonitrile?
The molecular weight of 4-(3,4-Dimethylphenoxy)-5-(4-morpholinyl)phthalonitrile is 333.15 g/mol.
Where can I buy 4-(3,4-Dimethylphenoxy)-5-(4-morpholinyl)phthalonitrile?
You can request a quote for 4-(3,4-Dimethylphenoxy)-5-(4-morpholinyl)phthalonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3,4-Dimethylphenoxy)-5-(4-morpholinyl)phthalonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(3,4-Dimethylphenoxy)-5-(4-morpholinyl)phthalonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.