Acetyl 4-aminosalicylic acid
TL;DR: Acetyl 4-aminosalicylic acid (CAS 102338-89-6) is a chemical compound with molecular formula C9H9NO4 and molecular weight 195.05316 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-acetyloxy-4-aminobenzoic acid
Also Known As: Acetyl 4-aminosalicylic acid, Acetyl-pas-saeure, AcPAS, Acetyl p-aminosalicylic acid, 2-acetyloxy-4-aminobenzoic acid
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H9NO4 |
| Molecular Weight | 195.05316 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 89.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 195.05316 Da |
| Heavy Atoms | 14 |
| Complexity | 241.0 |
| SMILES | CC(=O)OC1=C(C=CC(=C1)N)C(=O)O |
| InChIKey | OGBZOXBEULJKHF-UHFFFAOYSA-N |
Chemical Property Profile of Acetyl 4-aminosalicylic acid
Property Insights of Acetyl 4-aminosalicylic acid
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetyl 4-aminosalicylic acid. The TPSA of 89.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetyl 4-aminosalicylic acid. Following Lipinski's Rule of Five, Acetyl 4-aminosalicylic 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
What is the CAS number of Acetyl 4-aminosalicylic acid?
The CAS number of Acetyl 4-aminosalicylic acid is 102338-89-6.
What is the molecular formula of Acetyl 4-aminosalicylic acid?
The molecular formula of Acetyl 4-aminosalicylic acid is C9H9NO4.
What is the molecular weight of Acetyl 4-aminosalicylic acid?
The molecular weight of Acetyl 4-aminosalicylic acid is 195.05316 g/mol.
Where can I buy Acetyl 4-aminosalicylic acid?
You can request a quote for Acetyl 4-aminosalicylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acetyl 4-aminosalicylic acid?
Yes, CoreyChem provides custom synthesis services for Acetyl 4-aminosalicylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.