![2-[4-(4-Bromo-2-methylphenoxy)quinazolin-1-ium-2-yl]phenolate structure](/static/products/848/848740-58-9.png)
2-[4-(4-Bromo-2-methylphenoxy)quinazolin-1-ium-2-yl]phenolate
TL;DR: 2-[4-(4-Bromo-2-methylphenoxy)quinazolin-1-ium-2-yl]phenolate (CAS 848740-58-9) is a chemical compound with molecular formula C21H15BrN2O2 and molecular weight 406.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(4-bromo-2-methylphenoxy)quinazolin-2-yl]phenol
Also Known As: 2-(4-(4-bromo-2-methylphenoxy)quinazolin-2-yl)phenol, 2-[4-(4-bromo-2-methylphenoxy)quinazolin-1-ium-2-yl]phenolate, (6E)-6-[4-(4-bromo-2-methylphenoxy)-1H-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one, 6-[4-(4-bromo-2-methylphenoxy)-1H-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one
| Molecular Formula | C21H15BrN2O2 |
|---|---|
| Molecular Weight | 406.03 g/mol |
| LogP | 5.86562 |
| Topological Polar Surface Area | 55.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 406.03168 |
| Heavy Atoms | 26 |
| Complexity | 1112.113 |
Chemical Identifiers
| CAS Number | 848740-58-9 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Br)OC2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4O |
Product Overview
2-[4-(4-Bromo-2-methylphenoxy)quinazolin-1-ium-2-yl]phenolate (CAS 848740-58-9), with molecular formula C21H15BrN2O2 and molecular weight 406.03 g/mol. IUPAC: 2-[4-(4-bromo-2-methylphenoxy)quinazolin-2-yl]phenol.
Chemical Property Profile of 2-[4-(4-Bromo-2-methylphenoxy)quinazolin-1-ium-2-yl]phenolate
Property Insights of 2-[4-(4-Bromo-2-methylphenoxy)quinazolin-1-ium-2-yl]phenolate
The XLogP value of 5.86562 indicates that 2-[4-(4-Bromo-2-methylphenoxy)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-Bromo-2-methylphenoxy)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-Bromo-2-methylphenoxy)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-Bromo-2-methylphenoxy)quinazolin-1-ium-2-yl]phenolate?
The CAS number of 2-[4-(4-Bromo-2-methylphenoxy)quinazolin-1-ium-2-yl]phenolate is 848740-58-9.
What is the molecular formula of 2-[4-(4-Bromo-2-methylphenoxy)quinazolin-1-ium-2-yl]phenolate?
The molecular formula of 2-[4-(4-Bromo-2-methylphenoxy)quinazolin-1-ium-2-yl]phenolate is C21H15BrN2O2.
What is the molecular weight of 2-[4-(4-Bromo-2-methylphenoxy)quinazolin-1-ium-2-yl]phenolate?
The molecular weight of 2-[4-(4-Bromo-2-methylphenoxy)quinazolin-1-ium-2-yl]phenolate is 406.03 g/mol.
Where can I buy 2-[4-(4-Bromo-2-methylphenoxy)quinazolin-1-ium-2-yl]phenolate?
You can request a quote for 2-[4-(4-Bromo-2-methylphenoxy)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-Bromo-2-methylphenoxy)quinazolin-1-ium-2-yl]phenolate?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(4-Bromo-2-methylphenoxy)quinazolin-1-ium-2-yl]phenolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.