![2-{4-[2-(Methoxycarbonyl)phenoxy]quinazolin-1-ium-2-yl}phenolate structure](/static/products/845/845982-45-8.png)
2-{4-[2-(Methoxycarbonyl)phenoxy]quinazolin-1-ium-2-yl}phenolate
TL;DR: 2-{4-[2-(Methoxycarbonyl)phenoxy]quinazolin-1-ium-2-yl}phenolate (CAS 845982-45-8) is a chemical compound with molecular formula C22H16N2O4 and molecular weight 372.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2-(2-hydroxyphenyl)quinazolin-4-yl]oxybenzoate
Also Known As: 2-{4-[2-(methoxycarbonyl)phenoxy]quinazolin-1-ium-2-yl}phenolate, methyl 2-((2-(2-hydroxyphenyl)quinazolin-4-yl)oxy)benzoate, methyl 2-[[(2E)-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-quinazolin-4-yl]oxy]benzoate, methyl 2-[[2-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-quinazolin-4-yl]oxy]benzoate
| Molecular Formula | C22H16N2O4 |
|---|---|
| Molecular Weight | 372.11 g/mol |
| LogP | 4.5813 |
| Topological Polar Surface Area | 81.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 372.111 |
| Heavy Atoms | 28 |
| Complexity | 1174.0125 |
Chemical Identifiers
| CAS Number | 845982-45-8 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1OC2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4O |
Product Overview
2-{4-[2-(Methoxycarbonyl)phenoxy]quinazolin-1-ium-2-yl}phenolate (CAS 845982-45-8), with molecular formula C22H16N2O4 and molecular weight 372.11 g/mol. IUPAC: methyl 2-[2-(2-hydroxyphenyl)quinazolin-4-yl]oxybenzoate.
Chemical Property Profile of 2-{4-[2-(Methoxycarbonyl)phenoxy]quinazolin-1-ium-2-yl}phenolate
Property Insights of 2-{4-[2-(Methoxycarbonyl)phenoxy]quinazolin-1-ium-2-yl}phenolate
The XLogP value of 4.5813 indicates that 2-{4-[2-(Methoxycarbonyl)phenoxy]quinazolin-1-ium-2-yl}phenolate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{4-[2-(Methoxycarbonyl)phenoxy]quinazolin-1-ium-2-yl}phenolate. Following Lipinski's Rule of Five, 2-{4-[2-(Methoxycarbonyl)phenoxy]quinazolin-1-ium-2-yl}phenolate has 1 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 2-{4-[2-(Methoxycarbonyl)phenoxy]quinazolin-1-ium-2-yl}phenolate?
The CAS number of 2-{4-[2-(Methoxycarbonyl)phenoxy]quinazolin-1-ium-2-yl}phenolate is 845982-45-8.
What is the molecular formula of 2-{4-[2-(Methoxycarbonyl)phenoxy]quinazolin-1-ium-2-yl}phenolate?
The molecular formula of 2-{4-[2-(Methoxycarbonyl)phenoxy]quinazolin-1-ium-2-yl}phenolate is C22H16N2O4.
What is the molecular weight of 2-{4-[2-(Methoxycarbonyl)phenoxy]quinazolin-1-ium-2-yl}phenolate?
The molecular weight of 2-{4-[2-(Methoxycarbonyl)phenoxy]quinazolin-1-ium-2-yl}phenolate is 372.11 g/mol.
Where can I buy 2-{4-[2-(Methoxycarbonyl)phenoxy]quinazolin-1-ium-2-yl}phenolate?
You can request a quote for 2-{4-[2-(Methoxycarbonyl)phenoxy]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-[2-(Methoxycarbonyl)phenoxy]quinazolin-1-ium-2-yl}phenolate?
Yes, KEHONG BIO provides custom synthesis services for 2-{4-[2-(Methoxycarbonyl)phenoxy]quinazolin-1-ium-2-yl}phenolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.