4-Nitrophenethyl acetate
TL;DR: 4-Nitrophenethyl acetate (CAS 104-30-3) is a chemical compound with molecular formula C10H11NO4 and molecular weight 209.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C10H11NO4 |
|---|---|
| Molecular Weight | 209.07 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 209.0688 |
| Heavy Atoms | 15 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 104-30-3 |
|---|---|
| SMILES | CC(=O)OCCC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | PZCUSZBIRGTJPZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Nitrophenethyl acetate (CAS 104-30-3), with molecular formula C10H11NO4 and molecular weight 209.07 g/mol. IUPAC: 2-(4-nitrophenyl)ethyl acetate.
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
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 209.07 g/mol.
Where can I buy 4-Nitrophenethyl acetate?
You can request a quote for 4-Nitrophenethyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrophenethyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrophenethyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.