Hippuric acid, monoammonium salt
TL;DR: Hippuric acid, monoammonium salt (CAS 532-93-4) is a chemical compound with molecular formula C9H12N2O3 and molecular weight 196.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azane;2-benzamidoacetic acid
Also Known As: Ammonium hippurate, azane;2-benzamidoacetic acid, ammonium(benzoylamino)acetate, azane,2-benzamidoacetic acid, Hippuric acid ammonium salt
| Molecular Formula | C9H12N2O3 |
|---|---|
| Molecular Weight | 196.08 g/mol |
| LogP | 0.66 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 196.0848 |
| Heavy Atoms | 14 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 532-93-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NCC(=O)O.N |
| InChIKey | RXBWNIYFOFYPJR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hippuric acid, monoammonium salt (CAS 532-93-4), with molecular formula C9H12N2O3 and molecular weight 196.08 g/mol. IUPAC: azane;2-benzamidoacetic acid.
Chemical Property Profile of Hippuric acid, monoammonium salt
Property Insights of Hippuric acid, monoammonium salt
The XLogP value of 0.66 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hippuric acid, monoammonium salt. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Hippuric acid, monoammonium salt. Following Lipinski's Rule of Five, Hippuric acid, monoammonium salt 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 Hippuric acid, monoammonium salt?
The CAS number of Hippuric acid, monoammonium salt is 532-93-4.
What is the molecular formula of Hippuric acid, monoammonium salt?
The molecular formula of Hippuric acid, monoammonium salt is C9H12N2O3.
What is the molecular weight of Hippuric acid, monoammonium salt?
The molecular weight of Hippuric acid, monoammonium salt is 196.08 g/mol.
Where can I buy Hippuric acid, monoammonium salt?
You can request a quote for Hippuric acid, monoammonium salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hippuric acid, monoammonium salt?
Yes, KEHONG BIO provides custom synthesis services for Hippuric acid, monoammonium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.