4-Nitrophenyl (2-bromo-4-methylphenoxy)acetate
TL;DR: 4-Nitrophenyl (2-bromo-4-methylphenoxy)acetate (CAS 444151-49-9) is a chemical compound with molecular formula C15H12BrNO5 and molecular weight 364.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl) 2-(2-bromo-4-methylphenoxy)acetate
Also Known As: 4-nitrophenyl (2-bromo-4-methylphenoxy)acetate, (4-nitrophenyl) 2-(2-bromo-4-methylphenoxy)acetate, 4-nitrophenyl 2-(2-bromo-4-methylphenoxy)acetate, AN-329/40887459
| Molecular Formula | C15H12BrNO5 |
|---|---|
| Molecular Weight | 364.99 g/mol |
| LogP | 3.65012 |
| Topological Polar Surface Area | 78.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 364.9899 |
| Heavy Atoms | 22 |
| Complexity | 699.57904 |
Chemical Identifiers
| CAS Number | 444151-49-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OCC(=O)OC2=CC=C(C=C2)[N+](=O)[O-])Br |
Product Overview
4-Nitrophenyl (2-bromo-4-methylphenoxy)acetate (CAS 444151-49-9), with molecular formula C15H12BrNO5 and molecular weight 364.99 g/mol. IUPAC: (4-nitrophenyl) 2-(2-bromo-4-methylphenoxy)acetate.
Chemical Property Profile of 4-Nitrophenyl (2-bromo-4-methylphenoxy)acetate
Property Insights of 4-Nitrophenyl (2-bromo-4-methylphenoxy)acetate
The XLogP value of 3.65012 indicates that 4-Nitrophenyl (2-bromo-4-methylphenoxy)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrophenyl (2-bromo-4-methylphenoxy)acetate. Following Lipinski's Rule of Five, 4-Nitrophenyl (2-bromo-4-methylphenoxy)acetate has 0 hydrogen bond donor(s) and 5 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 4-Nitrophenyl (2-bromo-4-methylphenoxy)acetate?
The CAS number of 4-Nitrophenyl (2-bromo-4-methylphenoxy)acetate is 444151-49-9.
What is the molecular formula of 4-Nitrophenyl (2-bromo-4-methylphenoxy)acetate?
The molecular formula of 4-Nitrophenyl (2-bromo-4-methylphenoxy)acetate is C15H12BrNO5.
What is the molecular weight of 4-Nitrophenyl (2-bromo-4-methylphenoxy)acetate?
The molecular weight of 4-Nitrophenyl (2-bromo-4-methylphenoxy)acetate is 364.99 g/mol.
Where can I buy 4-Nitrophenyl (2-bromo-4-methylphenoxy)acetate?
You can request a quote for 4-Nitrophenyl (2-bromo-4-methylphenoxy)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrophenyl (2-bromo-4-methylphenoxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrophenyl (2-bromo-4-methylphenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.