3-(Quinoxalin-2-yl)phenyl 3-bromo-4-methylbenzoate
TL;DR: 3-(Quinoxalin-2-yl)phenyl 3-bromo-4-methylbenzoate (CAS 355372-66-6) is a chemical compound with molecular formula C22H15BrN2O2 and molecular weight 418.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-quinoxalin-2-ylphenyl) 3-bromo-4-methylbenzoate
Also Known As: 3-(quinoxalin-2-yl)phenyl 3-bromo-4-methylbenzoate, (3-quinoxalin-2-ylphenyl) 3-bromo-4-methylbenzoate, (3-quinoxalin-2-ylphenyl) 3-bromo-4-methyl-benzoate
| Molecular Formula | C22H15BrN2O2 |
|---|---|
| Molecular Weight | 418.03 g/mol |
| LogP | 5.58692 |
| Topological Polar Surface Area | 52.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 418.03168 |
| Heavy Atoms | 27 |
| Complexity | 1157.8364 |
Chemical Identifiers
| CAS Number | 355372-66-6 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)OC2=CC=CC(=C2)C3=NC4=CC=CC=C4N=C3)Br |
Product Overview
3-(Quinoxalin-2-yl)phenyl 3-bromo-4-methylbenzoate (CAS 355372-66-6), with molecular formula C22H15BrN2O2 and molecular weight 418.03 g/mol. IUPAC: (3-quinoxalin-2-ylphenyl) 3-bromo-4-methylbenzoate.
Chemical Property Profile of 3-(Quinoxalin-2-yl)phenyl 3-bromo-4-methylbenzoate
Property Insights of 3-(Quinoxalin-2-yl)phenyl 3-bromo-4-methylbenzoate
The XLogP value of 5.58692 indicates that 3-(Quinoxalin-2-yl)phenyl 3-bromo-4-methylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.08 Ų, 3-(Quinoxalin-2-yl)phenyl 3-bromo-4-methylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Quinoxalin-2-yl)phenyl 3-bromo-4-methylbenzoate has 0 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 3-(Quinoxalin-2-yl)phenyl 3-bromo-4-methylbenzoate?
The CAS number of 3-(Quinoxalin-2-yl)phenyl 3-bromo-4-methylbenzoate is 355372-66-6.
What is the molecular formula of 3-(Quinoxalin-2-yl)phenyl 3-bromo-4-methylbenzoate?
The molecular formula of 3-(Quinoxalin-2-yl)phenyl 3-bromo-4-methylbenzoate is C22H15BrN2O2.
What is the molecular weight of 3-(Quinoxalin-2-yl)phenyl 3-bromo-4-methylbenzoate?
The molecular weight of 3-(Quinoxalin-2-yl)phenyl 3-bromo-4-methylbenzoate is 418.03 g/mol.
Where can I buy 3-(Quinoxalin-2-yl)phenyl 3-bromo-4-methylbenzoate?
You can request a quote for 3-(Quinoxalin-2-yl)phenyl 3-bromo-4-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Quinoxalin-2-yl)phenyl 3-bromo-4-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(Quinoxalin-2-yl)phenyl 3-bromo-4-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.