3'-Nitro-p-acetophenetidide
TL;DR: 3'-Nitro-p-acetophenetidide (CAS 1777-84-0) is a chemical compound with molecular formula C10H12N2O4 and molecular weight 224.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-ethoxy-3-nitrophenyl)acetamide
Also Known As: N-(4-Ethoxy-3-nitrophenyl)acetamide, 3-Nitro-p-acetophenetide, 3-nitrophenacetin, 3'-Nitro-p-acetophenetide, 5-Nitro-p-acetophenetidide
| Molecular Formula | C10H12N2O4 |
|---|---|
| Molecular Weight | 224.08 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.07971 |
| Heavy Atoms | 16 |
| Complexity | 264.0 |
| Melting Point | 217 to 103.9 °C |
| Solubility | less than 0.1 mg/mL at 70 °F (NTP, 1992) |
Chemical Identifiers
| CAS Number | 1777-84-0 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)NC(=O)C)[N+](=O)[O-] |
| InChIKey | UOIPFPSGIAWJAQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3'-Nitro-p-acetophenetidide (CAS 1777-84-0), with molecular formula C10H12N2O4 and molecular weight 224.08 g/mol. IUPAC: N-(4-ethoxy-3-nitrophenyl)acetamide.
Chemical Property Profile of 3'-Nitro-p-acetophenetidide
Property Insights of 3'-Nitro-p-acetophenetidide
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3'-Nitro-p-acetophenetidide. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3'-Nitro-p-acetophenetidide. Following Lipinski's Rule of Five, 3'-Nitro-p-acetophenetidide has 1 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 3'-Nitro-p-acetophenetidide?
The CAS number of 3'-Nitro-p-acetophenetidide is 1777-84-0.
What is the molecular formula of 3'-Nitro-p-acetophenetidide?
The molecular formula of 3'-Nitro-p-acetophenetidide is C10H12N2O4.
What is the molecular weight of 3'-Nitro-p-acetophenetidide?
The molecular weight of 3'-Nitro-p-acetophenetidide is 224.08 g/mol.
Where can I buy 3'-Nitro-p-acetophenetidide?
You can request a quote for 3'-Nitro-p-acetophenetidide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-Nitro-p-acetophenetidide?
Yes, KEHONG BIO provides custom synthesis services for 3'-Nitro-p-acetophenetidide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.