4-(4-Methoxyphenoxy)-5-(4-morpholinyl)phthalonitrile
TL;DR: 4-(4-Methoxyphenoxy)-5-(4-morpholinyl)phthalonitrile (CAS 696629-00-2) is a chemical compound with molecular formula C19H17N3O3 and molecular weight 335.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methoxyphenoxy)-5-morpholin-4-ylbenzene-1,2-dicarbonitrile
Also Known As: 4-(4-methoxyphenoxy)-5-(4-morpholinyl)phthalonitrile, 4-(4-methoxyphenoxy)-5-morpholin-4-ylbenzene-1,2-dicarbonitrile, A3446/0146344, 2-CYANO-4-(4-METHOXYPHENOXY)-5-MORPHOLINOPHENYL CYANIDE, 4-(4-methoxyphenoxy)-5-(morpholin-4-yl)benzene-1,2-dicarbonitrile
| Molecular Formula | C19H17N3O3 |
|---|---|
| Molecular Weight | 335.13 g/mol |
| LogP | 3.06746 |
| Topological Polar Surface Area | 78.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 335.12698 |
| Heavy Atoms | 25 |
| Complexity | 828.71844 |
Chemical Identifiers
| CAS Number | 696629-00-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)OC2=C(C=C(C(=C2)C#N)C#N)N3CCOCC3 |
Product Overview
4-(4-Methoxyphenoxy)-5-(4-morpholinyl)phthalonitrile (CAS 696629-00-2), with molecular formula C19H17N3O3 and molecular weight 335.13 g/mol. IUPAC: 4-(4-methoxyphenoxy)-5-morpholin-4-ylbenzene-1,2-dicarbonitrile.
Chemical Property Profile of 4-(4-Methoxyphenoxy)-5-(4-morpholinyl)phthalonitrile
Property Insights of 4-(4-Methoxyphenoxy)-5-(4-morpholinyl)phthalonitrile
The XLogP value of 3.06746 indicates that 4-(4-Methoxyphenoxy)-5-(4-morpholinyl)phthalonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Methoxyphenoxy)-5-(4-morpholinyl)phthalonitrile. Following Lipinski's Rule of Five, 4-(4-Methoxyphenoxy)-5-(4-morpholinyl)phthalonitrile has 0 hydrogen bond donor(s) and 6 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-(4-Methoxyphenoxy)-5-(4-morpholinyl)phthalonitrile?
The CAS number of 4-(4-Methoxyphenoxy)-5-(4-morpholinyl)phthalonitrile is 696629-00-2.
What is the molecular formula of 4-(4-Methoxyphenoxy)-5-(4-morpholinyl)phthalonitrile?
The molecular formula of 4-(4-Methoxyphenoxy)-5-(4-morpholinyl)phthalonitrile is C19H17N3O3.
What is the molecular weight of 4-(4-Methoxyphenoxy)-5-(4-morpholinyl)phthalonitrile?
The molecular weight of 4-(4-Methoxyphenoxy)-5-(4-morpholinyl)phthalonitrile is 335.13 g/mol.
Where can I buy 4-(4-Methoxyphenoxy)-5-(4-morpholinyl)phthalonitrile?
You can request a quote for 4-(4-Methoxyphenoxy)-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-(4-Methoxyphenoxy)-5-(4-morpholinyl)phthalonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Methoxyphenoxy)-5-(4-morpholinyl)phthalonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.