4-Acetamido-2-acetyloxybenzoic acid
TL;DR: 4-Acetamido-2-acetyloxybenzoic acid (CAS 51-00-3) is a chemical compound with molecular formula C11H11NO5 and molecular weight 237.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-acetamido-2-acetyloxybenzoic acid
Also Known As: 4-acetamido-2-acetyloxybenzoic acid, Paracetamol Impurity 20, Acetaminophen Impurity 39, 2-Acetoxy-4-acetaminobenzoic acid, 4-acetamido-2-acetoxybenzoic acid
| Molecular Formula | C11H11NO5 |
|---|---|
| Molecular Weight | 237.06 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 237.06372 |
| Heavy Atoms | 17 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 51-00-3 |
|---|---|
| SMILES | CC(=O)NC1=CC(=C(C=C1)C(=O)O)OC(=O)C |
| InChIKey | QEUJTUCLEVAVPP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Acetamido-2-acetyloxybenzoic acid (CAS 51-00-3), with molecular formula C11H11NO5 and molecular weight 237.06 g/mol. IUPAC: 4-acetamido-2-acetyloxybenzoic acid.
Chemical Property Profile of 4-Acetamido-2-acetyloxybenzoic acid
Property Insights of 4-Acetamido-2-acetyloxybenzoic acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Acetamido-2-acetyloxybenzoic acid. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Acetamido-2-acetyloxybenzoic acid. Following Lipinski's Rule of Five, 4-Acetamido-2-acetyloxybenzoic 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-2-acetyloxybenzoic acid?
The CAS number of 4-Acetamido-2-acetyloxybenzoic acid is 51-00-3.
What is the molecular formula of 4-Acetamido-2-acetyloxybenzoic acid?
The molecular formula of 4-Acetamido-2-acetyloxybenzoic acid is C11H11NO5.
What is the molecular weight of 4-Acetamido-2-acetyloxybenzoic acid?
The molecular weight of 4-Acetamido-2-acetyloxybenzoic acid is 237.06 g/mol.
Where can I buy 4-Acetamido-2-acetyloxybenzoic acid?
You can request a quote for 4-Acetamido-2-acetyloxybenzoic 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-2-acetyloxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Acetamido-2-acetyloxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.