Phenyl 4-aminosalicylate
TL;DR: Phenyl 4-aminosalicylate (CAS 133-11-9) is a chemical compound with molecular formula C13H11NO3 and molecular weight 229.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 4-amino-2-hydroxybenzoate
Also Known As: Phenyl 4-aminosalicylate, Fenamisal, PHENYL AMINOSALICYLATE, p-Aminosalol, Tebamin
| Molecular Formula | C13H11NO3 |
|---|---|
| Molecular Weight | 229.07 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 72.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 229.0739 |
| Heavy Atoms | 17 |
| Complexity | 263.0 |
Chemical Identifiers
| CAS Number | 133-11-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)N)O |
| InChIKey | DNVVZWSVACQWJE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenyl 4-aminosalicylate (CAS 133-11-9), with molecular formula C13H11NO3 and molecular weight 229.07 g/mol. IUPAC: phenyl 4-amino-2-hydroxybenzoate.
Chemical Property Profile of Phenyl 4-aminosalicylate
Property Insights of Phenyl 4-aminosalicylate
The XLogP value of 3.2 indicates that Phenyl 4-aminosalicylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenyl 4-aminosalicylate. Following Lipinski's Rule of Five, Phenyl 4-aminosalicylate 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 Phenyl 4-aminosalicylate?
The CAS number of Phenyl 4-aminosalicylate is 133-11-9.
What is the molecular formula of Phenyl 4-aminosalicylate?
The molecular formula of Phenyl 4-aminosalicylate is C13H11NO3.
What is the molecular weight of Phenyl 4-aminosalicylate?
The molecular weight of Phenyl 4-aminosalicylate is 229.07 g/mol.
Where can I buy Phenyl 4-aminosalicylate?
You can request a quote for Phenyl 4-aminosalicylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl 4-aminosalicylate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl 4-aminosalicylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.