4-Acetamidosalicylic acid
TL;DR: 4-Acetamidosalicylic acid (CAS 50-86-2) is a chemical compound with molecular formula C9H9NO4 and molecular weight 195.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-acetamido-2-hydroxybenzoic acid
Also Known As: 4-Acetamidosalicylic acid, 4-Acetamido-2-hydroxybenzoic acid, p-Acetamidosalicylic acid, N-Acetyl-pas, 4-Azetaminosalizylsaeure
| Molecular Formula | C9H9NO4 |
|---|---|
| Molecular Weight | 195.05 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 86.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 195.05316 |
| Heavy Atoms | 14 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 50-86-2 |
|---|---|
| SMILES | CC(=O)NC1=CC(=C(C=C1)C(=O)O)O |
| InChIKey | YBTVSGCNBZPRBD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Acetamidosalicylic acid (CAS 50-86-2), with molecular formula C9H9NO4 and molecular weight 195.05 g/mol. IUPAC: 4-acetamido-2-hydroxybenzoic acid.
Chemical Property Profile of 4-Acetamidosalicylic acid
Property Insights of 4-Acetamidosalicylic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Acetamidosalicylic acid. The TPSA of 86.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Acetamidosalicylic acid. Following Lipinski's Rule of Five, 4-Acetamidosalicylic acid has 3 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 4-Acetamidosalicylic acid?
The CAS number of 4-Acetamidosalicylic acid is 50-86-2.
What is the molecular formula of 4-Acetamidosalicylic acid?
The molecular formula of 4-Acetamidosalicylic acid is C9H9NO4.
What is the molecular weight of 4-Acetamidosalicylic acid?
The molecular weight of 4-Acetamidosalicylic acid is 195.05 g/mol.
Where can I buy 4-Acetamidosalicylic acid?
You can request a quote for 4-Acetamidosalicylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Acetamidosalicylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Acetamidosalicylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.