![2-[4-(4-Cyanophenoxy)quinazolin-1-ium-2-yl]phenolate structure](/static/products/847/847178-32-9.png)
2-[4-(4-Cyanophenoxy)quinazolin-1-ium-2-yl]phenolate
TL;DR: 2-[4-(4-Cyanophenoxy)quinazolin-1-ium-2-yl]phenolate (CAS 847178-32-9) is a chemical compound with molecular formula C21H13N3O2 and molecular weight 339.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(2-hydroxyphenyl)quinazolin-4-yl]oxybenzonitrile
Also Known As: AB01291485-01, 2-[4-(4-cyanophenoxy)quinazolin-1-ium-2-yl]phenolate, 4-((2-(2-hydroxyphenyl)quinazolin-4-yl)oxy)benzonitrile, 4-[[(2E)-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-quinazolin-4-yl]oxy]benzonitrile, 4-[[2-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-quinazolin-4-yl]oxy]benzonitrile
| Molecular Formula | C21H13N3O2 |
|---|---|
| Molecular Weight | 339.10 g/mol |
| LogP | 4.66638 |
| Topological Polar Surface Area | 79.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 339.10077 |
| Heavy Atoms | 26 |
| Complexity | 1132.02 |
Chemical Identifiers
| CAS Number | 847178-32-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=CC=C3O)OC4=CC=C(C=C4)C#N |
Product Overview
2-[4-(4-Cyanophenoxy)quinazolin-1-ium-2-yl]phenolate (CAS 847178-32-9), with molecular formula C21H13N3O2 and molecular weight 339.10 g/mol. IUPAC: 4-[2-(2-hydroxyphenyl)quinazolin-4-yl]oxybenzonitrile.
Chemical Property Profile of 2-[4-(4-Cyanophenoxy)quinazolin-1-ium-2-yl]phenolate
Property Insights of 2-[4-(4-Cyanophenoxy)quinazolin-1-ium-2-yl]phenolate
The XLogP value of 4.66638 indicates that 2-[4-(4-Cyanophenoxy)quinazolin-1-ium-2-yl]phenolate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-(4-Cyanophenoxy)quinazolin-1-ium-2-yl]phenolate. Following Lipinski's Rule of Five, 2-[4-(4-Cyanophenoxy)quinazolin-1-ium-2-yl]phenolate has 1 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 2-[4-(4-Cyanophenoxy)quinazolin-1-ium-2-yl]phenolate?
The CAS number of 2-[4-(4-Cyanophenoxy)quinazolin-1-ium-2-yl]phenolate is 847178-32-9.
What is the molecular formula of 2-[4-(4-Cyanophenoxy)quinazolin-1-ium-2-yl]phenolate?
The molecular formula of 2-[4-(4-Cyanophenoxy)quinazolin-1-ium-2-yl]phenolate is C21H13N3O2.
What is the molecular weight of 2-[4-(4-Cyanophenoxy)quinazolin-1-ium-2-yl]phenolate?
The molecular weight of 2-[4-(4-Cyanophenoxy)quinazolin-1-ium-2-yl]phenolate is 339.10 g/mol.
Where can I buy 2-[4-(4-Cyanophenoxy)quinazolin-1-ium-2-yl]phenolate?
You can request a quote for 2-[4-(4-Cyanophenoxy)quinazolin-1-ium-2-yl]phenolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-(4-Cyanophenoxy)quinazolin-1-ium-2-yl]phenolate?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(4-Cyanophenoxy)quinazolin-1-ium-2-yl]phenolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.