2-Acetamidomethyl-4-nitrophenol
TL;DR: 2-Acetamidomethyl-4-nitrophenol (CAS 5804-36-4) is a chemical compound with molecular formula C9H10N2O4 and molecular weight 210.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-hydroxy-5-nitrophenyl)methyl]acetamide
Also Known As: 2-Acetamidomethyl-4-nitrophenol, 2-acetamidomethyl-4-nitro-phenol, 2-acetylaminomethyl-4-nitrophenol, N-[(2-hydroxy-5-nitrophenyl)methyl]acetamide, N-[(2-hydroxy-5-nitro-phenyl)methyl]acetamide
| Molecular Formula | C9H10N2O4 |
|---|---|
| Molecular Weight | 210.06 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 95.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 210.06406 |
| Heavy Atoms | 15 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 5804-36-4 |
|---|---|
| SMILES | CC(=O)NCC1=C(C=CC(=C1)[N+](=O)[O-])O |
| InChIKey | SKIMPHYSGGMGFO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Acetamidomethyl-4-nitrophenol (CAS 5804-36-4), with molecular formula C9H10N2O4 and molecular weight 210.06 g/mol. IUPAC: N-[(2-hydroxy-5-nitrophenyl)methyl]acetamide.
Chemical Property Profile of 2-Acetamidomethyl-4-nitrophenol
Property Insights of 2-Acetamidomethyl-4-nitrophenol
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Acetamidomethyl-4-nitrophenol. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Acetamidomethyl-4-nitrophenol. Following Lipinski's Rule of Five, 2-Acetamidomethyl-4-nitrophenol has 2 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 2-Acetamidomethyl-4-nitrophenol?
The CAS number of 2-Acetamidomethyl-4-nitrophenol is 5804-36-4.
What is the molecular formula of 2-Acetamidomethyl-4-nitrophenol?
The molecular formula of 2-Acetamidomethyl-4-nitrophenol is C9H10N2O4.
What is the molecular weight of 2-Acetamidomethyl-4-nitrophenol?
The molecular weight of 2-Acetamidomethyl-4-nitrophenol is 210.06 g/mol.
Where can I buy 2-Acetamidomethyl-4-nitrophenol?
You can request a quote for 2-Acetamidomethyl-4-nitrophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Acetamidomethyl-4-nitrophenol?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetamidomethyl-4-nitrophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.