(4-Ethylphenyl) 2-(4-nitrophenoxy)acetate
TL;DR: (4-Ethylphenyl) 2-(4-nitrophenoxy)acetate (CAS 496033-83-1) is a chemical compound with molecular formula C16H15NO5 and molecular weight 301.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-ethylphenyl) 2-(4-nitrophenoxy)acetate
Also Known As: 4-ethylphenyl (4-nitrophenoxy)acetate, 4-ethylphenyl {4-nitrophenoxy}acetate, (4-ethylphenyl) 2-(4-nitrophenoxy)acetate, 4-ethylphenyl 2-(4-nitrophenoxy)acetate, AN-329/41306921
| Molecular Formula | C16H15NO5 |
|---|---|
| Molecular Weight | 301.10 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 301.09503 |
| Heavy Atoms | 22 |
| Complexity | 365.0 |
Chemical Identifiers
| CAS Number | 496033-83-1 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)OC(=O)COC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | APBMVTCBXHZSBJ-UHFFFAOYSA-N |
Product Overview
(4-Ethylphenyl) 2-(4-nitrophenoxy)acetate (CAS 496033-83-1), with molecular formula C16H15NO5 and molecular weight 301.10 g/mol. IUPAC: (4-ethylphenyl) 2-(4-nitrophenoxy)acetate.
Chemical Property Profile of (4-Ethylphenyl) 2-(4-nitrophenoxy)acetate
Property Insights of (4-Ethylphenyl) 2-(4-nitrophenoxy)acetate
The XLogP value of 4.0 indicates that (4-Ethylphenyl) 2-(4-nitrophenoxy)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Ethylphenyl) 2-(4-nitrophenoxy)acetate. Following Lipinski's Rule of Five, (4-Ethylphenyl) 2-(4-nitrophenoxy)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-Ethylphenyl) 2-(4-nitrophenoxy)acetate?
The CAS number of (4-Ethylphenyl) 2-(4-nitrophenoxy)acetate is 496033-83-1.
What is the molecular formula of (4-Ethylphenyl) 2-(4-nitrophenoxy)acetate?
The molecular formula of (4-Ethylphenyl) 2-(4-nitrophenoxy)acetate is C16H15NO5.
What is the molecular weight of (4-Ethylphenyl) 2-(4-nitrophenoxy)acetate?
The molecular weight of (4-Ethylphenyl) 2-(4-nitrophenoxy)acetate is 301.10 g/mol.
Where can I buy (4-Ethylphenyl) 2-(4-nitrophenoxy)acetate?
You can request a quote for (4-Ethylphenyl) 2-(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 (4-Ethylphenyl) 2-(4-nitrophenoxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for (4-Ethylphenyl) 2-(4-nitrophenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.