C22H12BrCl2NO3
TL;DR: C22H12BrCl2NO3 (CAS 627072-51-9) is a chemical compound with molecular formula C22H12BrCl2NO3 and molecular weight 486.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-2-[(E)-2-[5-(2,6-dichlorophenyl)furan-2-yl]ethenyl]quinoline-4-carboxylic acid
Also Known As: 6-bromo-2-{(E)-2-[5-(2,6-dichlorophenyl)furan-2-yl]ethenyl}quinoline-4-carboxylic acid, (E)-6-bromo-2-(2-(5-(2,6-dichlorophenyl)furan-2-yl)vinyl)quinoline-4-carboxylic acid, 6-bromo-2-[(E)-2-[5-(2,6-dichlorophenyl)furan-2-yl]ethenyl]quinoline-4-carboxylic acid, 6-bromo-2-[2-[5-(2,6-dichlorophenyl)-2-furyl]ethenyl]quinoline-4-carboxylic Acid
| Molecular Formula | C22H12BrCl2NO3 |
|---|---|
| Molecular Weight | 486.94 g/mol |
| LogP | 7.4327 |
| Topological Polar Surface Area | 63.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 486.93777 |
| Heavy Atoms | 29 |
| Complexity | 1260.284 |
Chemical Identifiers
| CAS Number | 627072-51-9 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)C2=CC=C(O2)/C=C/C3=CC(=C4C=C(C=CC4=N3)Br)C(=O)O)Cl |
Product Overview
C22H12BrCl2NO3 (CAS 627072-51-9), with molecular formula C22H12BrCl2NO3 and molecular weight 486.94 g/mol. IUPAC: 6-bromo-2-[(E)-2-[5-(2,6-dichlorophenyl)furan-2-yl]ethenyl]quinoline-4-carboxylic acid.
Chemical Property Profile of C22H12BrCl2NO3
Property Insights of C22H12BrCl2NO3
The XLogP value of 7.4327 indicates that C22H12BrCl2NO3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.33 Ų falls within the moderate polarity range, balancing permeability and solubility for C22H12BrCl2NO3. Following Lipinski's Rule of Five, C22H12BrCl2NO3 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C22H12BrCl2NO3?
The CAS number of C22H12BrCl2NO3 is 627072-51-9.
What is the molecular formula of C22H12BrCl2NO3?
The molecular formula of C22H12BrCl2NO3 is C22H12BrCl2NO3.
What is the molecular weight of C22H12BrCl2NO3?
The molecular weight of C22H12BrCl2NO3 is 486.94 g/mol.
Where can I buy C22H12BrCl2NO3?
You can request a quote for C22H12BrCl2NO3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C22H12BrCl2NO3?
Yes, KEHONG BIO provides custom synthesis services for C22H12BrCl2NO3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.