![3-Nitrophenyl [(1-bromo-2-naphthyl)oxy]acetate structure](/static/products/4332/433253-65-7.webp)
3-Nitrophenyl [(1-bromo-2-naphthyl)oxy]acetate
TL;DR: 3-Nitrophenyl [(1-bromo-2-naphthyl)oxy]acetate (CAS 433253-65-7) is a chemical compound with molecular formula C18H12BrNO5 and molecular weight 400.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-nitrophenyl) 2-(1-bromonaphthalen-2-yl)oxyacetate
Also Known As: 3-nitrophenyl [(1-bromo-2-naphthyl)oxy]acetate, (3-nitrophenyl) 2-(1-bromonaphthalen-2-yl)oxyacetate, 3-nitrophenyl 2-(1-bromo-2-naphthyloxy)acetate, AN-329/40887465, 3-nitrophenyl [(1-bromonaphthalen-2-yl)oxy]acetate
| Molecular Formula | C18H12BrNO5 |
|---|---|
| Molecular Weight | 400.99 g/mol |
| LogP | 4.4949 |
| Topological Polar Surface Area | 78.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.9899 |
| Heavy Atoms | 25 |
| Complexity | 957.10425 |
Chemical Identifiers
| CAS Number | 433253-65-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC(=C2Br)OCC(=O)OC3=CC=CC(=C3)[N+](=O)[O-] |
Product Overview
3-Nitrophenyl [(1-bromo-2-naphthyl)oxy]acetate (CAS 433253-65-7), with molecular formula C18H12BrNO5 and molecular weight 400.99 g/mol. IUPAC: (3-nitrophenyl) 2-(1-bromonaphthalen-2-yl)oxyacetate.
Chemical Property Profile of 3-Nitrophenyl [(1-bromo-2-naphthyl)oxy]acetate
Property Insights of 3-Nitrophenyl [(1-bromo-2-naphthyl)oxy]acetate
The XLogP value of 4.4949 indicates that 3-Nitrophenyl [(1-bromo-2-naphthyl)oxy]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 3-Nitrophenyl [(1-bromo-2-naphthyl)oxy]acetate. Following Lipinski's Rule of Five, 3-Nitrophenyl [(1-bromo-2-naphthyl)oxy]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 3-Nitrophenyl [(1-bromo-2-naphthyl)oxy]acetate?
The CAS number of 3-Nitrophenyl [(1-bromo-2-naphthyl)oxy]acetate is 433253-65-7.
What is the molecular formula of 3-Nitrophenyl [(1-bromo-2-naphthyl)oxy]acetate?
The molecular formula of 3-Nitrophenyl [(1-bromo-2-naphthyl)oxy]acetate is C18H12BrNO5.
What is the molecular weight of 3-Nitrophenyl [(1-bromo-2-naphthyl)oxy]acetate?
The molecular weight of 3-Nitrophenyl [(1-bromo-2-naphthyl)oxy]acetate is 400.99 g/mol.
Where can I buy 3-Nitrophenyl [(1-bromo-2-naphthyl)oxy]acetate?
You can request a quote for 3-Nitrophenyl [(1-bromo-2-naphthyl)oxy]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitrophenyl [(1-bromo-2-naphthyl)oxy]acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitrophenyl [(1-bromo-2-naphthyl)oxy]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.