![2-{4-[4-(Propan-2-yl)phenoxy]quinazolin-1-ium-2-yl}phenolate structure](/static/products/846/846597-72-6.png)
2-{4-[4-(Propan-2-yl)phenoxy]quinazolin-1-ium-2-yl}phenolate
TL;DR: 2-{4-[4-(Propan-2-yl)phenoxy]quinazolin-1-ium-2-yl}phenolate (CAS 846597-72-6) is a chemical compound with molecular formula C23H20N2O2 and molecular weight 356.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(4-propan-2-ylphenoxy)quinazolin-2-yl]phenol
Also Known As: 2-(4-(4-isopropylphenoxy)quinazolin-2-yl)phenol, 2-{4-[4-(propan-2-yl)phenoxy]quinazolin-1-ium-2-yl}phenolate, (6E)-6-[4-(4-propan-2-ylphenoxy)-1H-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one, 6-[4-(4-propan-2-ylphenoxy)-1H-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one
| Molecular Formula | C23H20N2O2 |
|---|---|
| Molecular Weight | 356.15 g/mol |
| LogP | 5.9181 |
| Topological Polar Surface Area | 55.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 356.15247 |
| Heavy Atoms | 27 |
| Complexity | 1088.9852 |
Chemical Identifiers
| CAS Number | 846597-72-6 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)OC2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4O |
Product Overview
2-{4-[4-(Propan-2-yl)phenoxy]quinazolin-1-ium-2-yl}phenolate (CAS 846597-72-6), with molecular formula C23H20N2O2 and molecular weight 356.15 g/mol. IUPAC: 2-[4-(4-propan-2-ylphenoxy)quinazolin-2-yl]phenol.
Chemical Property Profile of 2-{4-[4-(Propan-2-yl)phenoxy]quinazolin-1-ium-2-yl}phenolate
Property Insights of 2-{4-[4-(Propan-2-yl)phenoxy]quinazolin-1-ium-2-yl}phenolate
The XLogP value of 5.9181 indicates that 2-{4-[4-(Propan-2-yl)phenoxy]quinazolin-1-ium-2-yl}phenolate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.24 Ų, 2-{4-[4-(Propan-2-yl)phenoxy]quinazolin-1-ium-2-yl}phenolate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{4-[4-(Propan-2-yl)phenoxy]quinazolin-1-ium-2-yl}phenolate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-{4-[4-(Propan-2-yl)phenoxy]quinazolin-1-ium-2-yl}phenolate?
The CAS number of 2-{4-[4-(Propan-2-yl)phenoxy]quinazolin-1-ium-2-yl}phenolate is 846597-72-6.
What is the molecular formula of 2-{4-[4-(Propan-2-yl)phenoxy]quinazolin-1-ium-2-yl}phenolate?
The molecular formula of 2-{4-[4-(Propan-2-yl)phenoxy]quinazolin-1-ium-2-yl}phenolate is C23H20N2O2.
What is the molecular weight of 2-{4-[4-(Propan-2-yl)phenoxy]quinazolin-1-ium-2-yl}phenolate?
The molecular weight of 2-{4-[4-(Propan-2-yl)phenoxy]quinazolin-1-ium-2-yl}phenolate is 356.15 g/mol.
Where can I buy 2-{4-[4-(Propan-2-yl)phenoxy]quinazolin-1-ium-2-yl}phenolate?
You can request a quote for 2-{4-[4-(Propan-2-yl)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-[4-(Propan-2-yl)phenoxy]quinazolin-1-ium-2-yl}phenolate?
Yes, KEHONG BIO provides custom synthesis services for 2-{4-[4-(Propan-2-yl)phenoxy]quinazolin-1-ium-2-yl}phenolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.