2-(9H-purin-9-yl)acetic acid
TL;DR: 2-(9H-purin-9-yl)acetic acid (CAS 98550-24-4) is a chemical compound with molecular formula C7H6N4O2 and molecular weight 178.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-purin-9-ylacetic acid
Also Known As: purin-9-yl-acetic acid, 2-(9H-purin-9-yl)acetic acid, 2-purin-9-ylacetic acid, 9H-purin-9-ylacetic acid, 867-623-5
| Molecular Formula | C7H6N4O2 |
|---|---|
| Molecular Weight | 178.05 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 178.04907 |
| Heavy Atoms | 13 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 98550-24-4 |
|---|---|
| SMILES | C1=C2C(=NC=N1)N(C=N2)CC(=O)O |
| InChIKey | PPVLXVYICMYPNW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(9H-purin-9-yl)acetic acid (CAS 98550-24-4), with molecular formula C7H6N4O2 and molecular weight 178.05 g/mol. IUPAC: 2-purin-9-ylacetic acid.
Chemical Property Profile of 2-(9H-purin-9-yl)acetic acid
Property Insights of 2-(9H-purin-9-yl)acetic acid
The XLogP value of -0.3 indicates that 2-(9H-purin-9-yl)acetic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(9H-purin-9-yl)acetic acid. Following Lipinski's Rule of Five, 2-(9H-purin-9-yl)acetic acid has 1 hydrogen bond donor(s) and 5 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 2-(9H-purin-9-yl)acetic acid?
The CAS number of 2-(9H-purin-9-yl)acetic acid is 98550-24-4.
What is the molecular formula of 2-(9H-purin-9-yl)acetic acid?
The molecular formula of 2-(9H-purin-9-yl)acetic acid is C7H6N4O2.
What is the molecular weight of 2-(9H-purin-9-yl)acetic acid?
The molecular weight of 2-(9H-purin-9-yl)acetic acid is 178.05 g/mol.
Where can I buy 2-(9H-purin-9-yl)acetic acid?
You can request a quote for 2-(9H-purin-9-yl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(9H-purin-9-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(9H-purin-9-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.