Arogenic acid
TL;DR: Arogenic acid (CAS 87726-53-2) is a chemical compound with molecular formula C10H13NO5 and molecular weight 227.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-amino-2-carboxyethyl)-4-hydroxycyclohexa-2,5-diene-1-carboxylic acid
Also Known As: Pretyrosine, Arogenic acid, Arogenate, KST-1B5752, 1-(2-amino-2-carboxyethyl)-4-hydroxycyclohexa-2,5-diene-1-carboxylic acid
| Molecular Formula | C10H13NO5 |
|---|---|
| Molecular Weight | 227.08 g/mol |
| LogP | -3.1 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 227.07938 |
| Heavy Atoms | 16 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 87726-53-2 |
|---|---|
| SMILES | C1=CC(C=CC1O)(CC(C(=O)O)N)C(=O)O |
| InChIKey | MIEILDYWGANZNH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Arogenic acid (CAS 87726-53-2), with molecular formula C10H13NO5 and molecular weight 227.08 g/mol. IUPAC: 1-(2-amino-2-carboxyethyl)-4-hydroxycyclohexa-2,5-diene-1-carboxylic acid.
Chemical Property Profile of Arogenic acid
Property Insights of Arogenic acid
The XLogP value of -3.1 indicates that Arogenic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Arogenic acid. Following Lipinski's Rule of Five, Arogenic acid has 4 hydrogen bond donor(s) and 6 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 Arogenic acid?
The CAS number of Arogenic acid is 87726-53-2.
What is the molecular formula of Arogenic acid?
The molecular formula of Arogenic acid is C10H13NO5.
What is the molecular weight of Arogenic acid?
The molecular weight of Arogenic acid is 227.08 g/mol.
Where can I buy Arogenic acid?
You can request a quote for Arogenic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Arogenic acid?
Yes, KEHONG BIO provides custom synthesis services for Arogenic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.