水杨酰胺乙酸
TL;DR: 水杨酰胺乙酸 (CAS 487-54-7) 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.
水杨酰胺乙酸
2-[(2-hydroxybenzoyl)amino]acetic acid
Also Known As: Salicyluric acid, 2-Hydroxyhippuric acid, Salicylurate, Salicyloylglycine, N-Salicyloylglycine
| Molecular Formula | C9H9NO4 |
|---|---|
| Molecular Weight | 195.05 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 86.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 195.05316 |
| Heavy Atoms | 14 |
| Complexity | 229.0 |
| Melting Point | 168 °C |
Chemical Identifiers
| CAS Number | 487-54-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)NCC(=O)O)O |
| InChIKey | ONJSZLXSECQROL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
水杨酰胺乙酸 (CAS 487-54-7), with molecular formula C9H9NO4 and molecular weight 195.05 g/mol. IUPAC: 2-[(2-hydroxybenzoyl)amino]acetic acid.
Chemical Property Profile of 水杨酰胺乙酸
Property Insights of 水杨酰胺乙酸
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 水杨酰胺乙酸. The TPSA of 86.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 水杨酰胺乙酸. Following Lipinski's Rule of Five, 水杨酰胺乙酸 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 水杨酰胺乙酸?
The CAS number of 水杨酰胺乙酸 is 487-54-7.
What is the molecular formula of 水杨酰胺乙酸?
The molecular formula of 水杨酰胺乙酸 is C9H9NO4.
What is the molecular weight of 水杨酰胺乙酸?
The molecular weight of 水杨酰胺乙酸 is 195.05 g/mol.
Where can I buy 水杨酰胺乙酸?
You can request a quote for 水杨酰胺乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 水杨酰胺乙酸?
Yes, KEHONG BIO provides custom synthesis services for 水杨酰胺乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.