4-(4-Bromophenoxy)-5-(4-morpholinyl)phthalonitrile
TL;DR: 4-(4-Bromophenoxy)-5-(4-morpholinyl)phthalonitrile (CAS 355435-69-7) is a chemical compound with molecular formula C18H14BrN3O2 and molecular weight 383.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-bromophenoxy)-5-morpholin-4-ylbenzene-1,2-dicarbonitrile
Also Known As: 4-(4-bromophenoxy)-5-(4-morpholinyl)phthalonitrile, 4-(4-bromophenoxy)-5-morpholin-4-ylbenzene-1,2-dicarbonitrile, 4-(4-BROMOPHENOXY)-2-CYANO-5-MORPHOLINOPHENYL CYANIDE
| Molecular Formula | C18H14BrN3O2 |
|---|---|
| Molecular Weight | 383.03 g/mol |
| LogP | 3.82136 |
| Topological Polar Surface Area | 69.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 383.02695 |
| Heavy Atoms | 24 |
| Complexity | 815.8831 |
Chemical Identifiers
| CAS Number | 355435-69-7 |
|---|---|
| SMILES | C1COCCN1C2=C(C=C(C(=C2)C#N)C#N)OC3=CC=C(C=C3)Br |
Product Overview
4-(4-Bromophenoxy)-5-(4-morpholinyl)phthalonitrile (CAS 355435-69-7), with molecular formula C18H14BrN3O2 and molecular weight 383.03 g/mol. IUPAC: 4-(4-bromophenoxy)-5-morpholin-4-ylbenzene-1,2-dicarbonitrile.
Chemical Property Profile of 4-(4-Bromophenoxy)-5-(4-morpholinyl)phthalonitrile
Property Insights of 4-(4-Bromophenoxy)-5-(4-morpholinyl)phthalonitrile
The XLogP value of 3.82136 indicates that 4-(4-Bromophenoxy)-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-(4-Bromophenoxy)-5-(4-morpholinyl)phthalonitrile. Following Lipinski's Rule of Five, 4-(4-Bromophenoxy)-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-(4-Bromophenoxy)-5-(4-morpholinyl)phthalonitrile?
The CAS number of 4-(4-Bromophenoxy)-5-(4-morpholinyl)phthalonitrile is 355435-69-7.
What is the molecular formula of 4-(4-Bromophenoxy)-5-(4-morpholinyl)phthalonitrile?
The molecular formula of 4-(4-Bromophenoxy)-5-(4-morpholinyl)phthalonitrile is C18H14BrN3O2.
What is the molecular weight of 4-(4-Bromophenoxy)-5-(4-morpholinyl)phthalonitrile?
The molecular weight of 4-(4-Bromophenoxy)-5-(4-morpholinyl)phthalonitrile is 383.03 g/mol.
Where can I buy 4-(4-Bromophenoxy)-5-(4-morpholinyl)phthalonitrile?
You can request a quote for 4-(4-Bromophenoxy)-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-Bromophenoxy)-5-(4-morpholinyl)phthalonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Bromophenoxy)-5-(4-morpholinyl)phthalonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.