4-Nitrophenethyl acetate
TL;DR: 4-Nitrophenethyl acetate (CAS 104-30-3) is a chemical compound with molecular formula C10H11NO4 and molecular weight 209.0688 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-nitrophenyl)ethyl acetate
Also Known As: p-Nitrophenethyl acetate, 4-nitrophenethyl acetate, 2-(4-nitrophenyl)ethyl acetate, Phenethyl alcohol, acetate, P-NITROPHENETHYL ALCOHOL, ACETATE
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H11NO4 |
| Molecular Weight | 209.0688 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 209.0688 Da |
| Heavy Atoms | 15 |
| Complexity | 228.0 |
| SMILES | CC(=O)OCCC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | PZCUSZBIRGTJPZ-UHFFFAOYSA-N |
Product Description
Applications: 4-Nitrophenethyl acetate is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 4-Nitrophenethyl acetate (CAS 104-30-3) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
4-Nitrophenethyl acetate is a heterocyclic building block identified by CAS number 104-30-3 and the molecular formula C10H11NO4 and a molecular weight of 209.07 g/mol. It is also known as p-Nitrophenethyl acetate and 4-nitrophenethyl acetate.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 4-Nitrophenethyl acetate
Property Insights of 4-Nitrophenethyl acetate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitrophenethyl acetate. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrophenethyl acetate. Following Lipinski's Rule of Five, 4-Nitrophenethyl acetate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Nitrophenethyl acetate?
The CAS number of 4-Nitrophenethyl acetate is 104-30-3.
What is the molecular formula of 4-Nitrophenethyl acetate?
The molecular formula of 4-Nitrophenethyl acetate is C10H11NO4.
What is the molecular weight of 4-Nitrophenethyl acetate?
The molecular weight of 4-Nitrophenethyl acetate is 209.0688 g/mol.
What are the applications of 4-Nitrophenethyl acetate?
4-Nitrophenethyl acetate is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 4-Nitrophenethyl acetate (CAS...
Where can I buy 4-Nitrophenethyl acetate?
You can request a quote for 4-Nitrophenethyl acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Nitrophenethyl acetate?
Yes, CoreyChem provides custom synthesis services for 4-Nitrophenethyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.