2-Acetylphenyl (4-nitrophenoxy)acetate
TL;DR: 2-Acetylphenyl (4-nitrophenoxy)acetate (CAS 511516-75-9) is a chemical compound with molecular formula C16H13NO6 and molecular weight 315.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-acetylphenyl) 2-(4-nitrophenoxy)acetate
Also Known As: CBKinase1_003542, CBKinase1_015942, 2-acetylphenyl (4-nitrophenoxy)acetate, 2-acetylphenyl 2-(4-nitrophenoxy)acetate, (2-acetylphenyl) 2-(4-nitrophenoxy)acetate
| Molecular Formula | C16H13NO6 |
|---|---|
| Molecular Weight | 315.07 g/mol |
| LogP | 2.7818 |
| Topological Polar Surface Area | 95.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 315.07428 |
| Heavy Atoms | 23 |
| Complexity | 738.4906 |
Chemical Identifiers
| CAS Number | 511516-75-9 |
|---|---|
| SMILES | CC(=O)C1=CC=CC=C1OC(=O)COC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
2-Acetylphenyl (4-nitrophenoxy)acetate (CAS 511516-75-9), with molecular formula C16H13NO6 and molecular weight 315.07 g/mol. IUPAC: (2-acetylphenyl) 2-(4-nitrophenoxy)acetate.
Chemical Property Profile of 2-Acetylphenyl (4-nitrophenoxy)acetate
Property Insights of 2-Acetylphenyl (4-nitrophenoxy)acetate
The XLogP value of 2.7818 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Acetylphenyl (4-nitrophenoxy)acetate. The TPSA of 95.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Acetylphenyl (4-nitrophenoxy)acetate. Following Lipinski's Rule of Five, 2-Acetylphenyl (4-nitrophenoxy)acetate has 0 hydrogen bond donor(s) and 6 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 2-Acetylphenyl (4-nitrophenoxy)acetate?
The CAS number of 2-Acetylphenyl (4-nitrophenoxy)acetate is 511516-75-9.
What is the molecular formula of 2-Acetylphenyl (4-nitrophenoxy)acetate?
The molecular formula of 2-Acetylphenyl (4-nitrophenoxy)acetate is C16H13NO6.
What is the molecular weight of 2-Acetylphenyl (4-nitrophenoxy)acetate?
The molecular weight of 2-Acetylphenyl (4-nitrophenoxy)acetate is 315.07 g/mol.
Where can I buy 2-Acetylphenyl (4-nitrophenoxy)acetate?
You can request a quote for 2-Acetylphenyl (4-nitrophenoxy)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Acetylphenyl (4-nitrophenoxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetylphenyl (4-nitrophenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.