3-Adenin-9-yl-2-hydroxypropanoic acid
TL;DR: 3-Adenin-9-yl-2-hydroxypropanoic acid (CAS 94535-32-7) is a chemical compound with molecular formula C8H9N5O3 and molecular weight 223.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(6-aminopurin-9-yl)-2-hydroxypropanoic acid
Also Known As: 3-Adenin-9-yl-2-hydroxypropanoic acid, (RS)-AHPA, 3-AHPA, 3-(6-amino-9H-purin-9-yl)-2-hydroxypropanoic acid, 9H-Purine-9-propanoic acid, (RS)
| Molecular Formula | C8H9N5O3 |
|---|---|
| Molecular Weight | 223.07 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 223.07054 |
| Heavy Atoms | 16 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 94535-32-7 |
|---|---|
| SMILES | C1=NC(=C2C(=N1)N(C=N2)CC(C(=O)O)O)N |
| InChIKey | UHOFECKRSHSYNE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Adenin-9-yl-2-hydroxypropanoic acid (CAS 94535-32-7), with molecular formula C8H9N5O3 and molecular weight 223.07 g/mol. IUPAC: 3-(6-aminopurin-9-yl)-2-hydroxypropanoic acid.
Chemical Property Profile of 3-Adenin-9-yl-2-hydroxypropanoic acid
Property Insights of 3-Adenin-9-yl-2-hydroxypropanoic acid
The XLogP value of -1.2 indicates that 3-Adenin-9-yl-2-hydroxypropanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Adenin-9-yl-2-hydroxypropanoic acid. Following Lipinski's Rule of Five, 3-Adenin-9-yl-2-hydroxypropanoic acid has 3 hydrogen bond donor(s) and 7 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 3-Adenin-9-yl-2-hydroxypropanoic acid?
The CAS number of 3-Adenin-9-yl-2-hydroxypropanoic acid is 94535-32-7.
What is the molecular formula of 3-Adenin-9-yl-2-hydroxypropanoic acid?
The molecular formula of 3-Adenin-9-yl-2-hydroxypropanoic acid is C8H9N5O3.
What is the molecular weight of 3-Adenin-9-yl-2-hydroxypropanoic acid?
The molecular weight of 3-Adenin-9-yl-2-hydroxypropanoic acid is 223.07 g/mol.
Where can I buy 3-Adenin-9-yl-2-hydroxypropanoic acid?
You can request a quote for 3-Adenin-9-yl-2-hydroxypropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Adenin-9-yl-2-hydroxypropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Adenin-9-yl-2-hydroxypropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.