4-Acetamido-3-(2-nitroethyl)benzoic acid
TL;DR: 4-Acetamido-3-(2-nitroethyl)benzoic acid (CAS 199535-22-3) is a chemical compound with molecular formula C11H12N2O5 and molecular weight 252.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-acetamido-3-(2-nitroethyl)benzoic acid
Also Known As: Benzoic Acid deriv. 130, 4-acetamido-3-(2-nitroethyl)benzoic acid, 4-(Acetylamino)-3-(2-nitroethyl)benzoic acid, Benzoic acid, 4-(acetylamino)-3-(2-nitroethyl)-
| Molecular Formula | C11H12N2O5 |
|---|---|
| Molecular Weight | 252.07 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 252.07462 |
| Heavy Atoms | 18 |
| Complexity | 339.0 |
Chemical Identifiers
| CAS Number | 199535-22-3 |
|---|---|
| SMILES | CC(=O)NC1=C(C=C(C=C1)C(=O)O)CC[N+](=O)[O-] |
| InChIKey | MOSSPTSCEXMSPA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Acetamido-3-(2-nitroethyl)benzoic acid (CAS 199535-22-3), with molecular formula C11H12N2O5 and molecular weight 252.07 g/mol. IUPAC: 4-acetamido-3-(2-nitroethyl)benzoic acid.
Chemical Property Profile of 4-Acetamido-3-(2-nitroethyl)benzoic acid
Property Insights of 4-Acetamido-3-(2-nitroethyl)benzoic acid
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Acetamido-3-(2-nitroethyl)benzoic acid. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Acetamido-3-(2-nitroethyl)benzoic acid. Following Lipinski's Rule of Five, 4-Acetamido-3-(2-nitroethyl)benzoic acid has 2 hydrogen bond donor(s) and 5 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-Acetamido-3-(2-nitroethyl)benzoic acid?
The CAS number of 4-Acetamido-3-(2-nitroethyl)benzoic acid is 199535-22-3.
What is the molecular formula of 4-Acetamido-3-(2-nitroethyl)benzoic acid?
The molecular formula of 4-Acetamido-3-(2-nitroethyl)benzoic acid is C11H12N2O5.
What is the molecular weight of 4-Acetamido-3-(2-nitroethyl)benzoic acid?
The molecular weight of 4-Acetamido-3-(2-nitroethyl)benzoic acid is 252.07 g/mol.
Where can I buy 4-Acetamido-3-(2-nitroethyl)benzoic acid?
You can request a quote for 4-Acetamido-3-(2-nitroethyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Acetamido-3-(2-nitroethyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Acetamido-3-(2-nitroethyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.