1,2-Benzenedicarbonitrile, 4-(4-aminophenoxy)-
TL;DR: 1,2-Benzenedicarbonitrile, 4-(4-aminophenoxy)- (CAS 189691-53-0) is a chemical compound with molecular formula C14H9N3O and molecular weight 235.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-aminophenoxy)benzene-1,2-dicarbonitrile
Also Known As: 4-(4-aminophenoxy)phthalonitrile, 4-aminophenoxyphthalonitrile, 1,2-Benzenedicarbonitrile, 4-(4-aminophenoxy)-, 4-(4-aminophenoxy)benzene-1,2-dicarbonitrile, 3,4-Dicyanophenyl 4-aminophenyl ether
| Molecular Formula | C14H9N3O |
|---|---|
| Molecular Weight | 235.07 g/mol |
| LogP | 2.80446 |
| Topological Polar Surface Area | 82.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 235.07455 |
| Heavy Atoms | 18 |
| Complexity | 648.2198 |
Chemical Identifiers
| CAS Number | 189691-53-0 |
|---|---|
| SMILES | C1=CC(=CC=C1N)OC2=CC(=C(C=C2)C#N)C#N |
Product Overview
1,2-Benzenedicarbonitrile, 4-(4-aminophenoxy)- (CAS 189691-53-0), with molecular formula C14H9N3O and molecular weight 235.07 g/mol. IUPAC: 4-(4-aminophenoxy)benzene-1,2-dicarbonitrile.
Chemical Property Profile of 1,2-Benzenedicarbonitrile, 4-(4-aminophenoxy)-
Property Insights of 1,2-Benzenedicarbonitrile, 4-(4-aminophenoxy)-
The XLogP value of 2.80446 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Benzenedicarbonitrile, 4-(4-aminophenoxy)-. The TPSA of 82.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Benzenedicarbonitrile, 4-(4-aminophenoxy)-. Following Lipinski's Rule of Five, 1,2-Benzenedicarbonitrile, 4-(4-aminophenoxy)- has 1 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 1,2-Benzenedicarbonitrile, 4-(4-aminophenoxy)-?
The CAS number of 1,2-Benzenedicarbonitrile, 4-(4-aminophenoxy)- is 189691-53-0.
What is the molecular formula of 1,2-Benzenedicarbonitrile, 4-(4-aminophenoxy)-?
The molecular formula of 1,2-Benzenedicarbonitrile, 4-(4-aminophenoxy)- is C14H9N3O.
What is the molecular weight of 1,2-Benzenedicarbonitrile, 4-(4-aminophenoxy)-?
The molecular weight of 1,2-Benzenedicarbonitrile, 4-(4-aminophenoxy)- is 235.07 g/mol.
Where can I buy 1,2-Benzenedicarbonitrile, 4-(4-aminophenoxy)-?
You can request a quote for 1,2-Benzenedicarbonitrile, 4-(4-aminophenoxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Benzenedicarbonitrile, 4-(4-aminophenoxy)-?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzenedicarbonitrile, 4-(4-aminophenoxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.