对硝基乙酰苯胺
TL;DR: 对硝基乙酰苯胺 (CAS 104-04-1) is a chemical compound with molecular formula C8H8N2O3 and molecular weight 180.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
对硝基乙酰苯胺
N-(4-nitrophenyl)acetamide
Also Known As: N-(4-Nitrophenyl)acetamide, 4'-Nitroacetanilide, 4-NITROACETANILIDE, P-Nitroacetanilide, N-Acetyl-4-nitroaniline
| Molecular Formula | C8H8N2O3 |
|---|---|
| Molecular Weight | 180.05 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 74.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 180.0535 |
| Heavy Atoms | 13 |
| Complexity | 204.0 |
Chemical Identifiers
| CAS Number | 104-04-1 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | NQRLPDFELNCFHW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
对硝基乙酰苯胺 (CAS 104-04-1), with molecular formula C8H8N2O3 and molecular weight 180.05 g/mol. IUPAC: N-(4-nitrophenyl)acetamide.
Chemical Property Profile of 对硝基乙酰苯胺
Property Insights of 对硝基乙酰苯胺
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 对硝基乙酰苯胺. The TPSA of 74.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 对硝基乙酰苯胺. Following Lipinski's Rule of Five, 对硝基乙酰苯胺 has 1 hydrogen bond donor(s) and 3 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 对硝基乙酰苯胺?
The CAS number of 对硝基乙酰苯胺 is 104-04-1.
What is the molecular formula of 对硝基乙酰苯胺?
The molecular formula of 对硝基乙酰苯胺 is C8H8N2O3.
What is the molecular weight of 对硝基乙酰苯胺?
The molecular weight of 对硝基乙酰苯胺 is 180.05 g/mol.
Where can I buy 对硝基乙酰苯胺?
You can request a quote for 对硝基乙酰苯胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 对硝基乙酰苯胺?
Yes, KEHONG BIO provides custom synthesis services for 对硝基乙酰苯胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.