2-(8-amino-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid
TL;DR: 2-(8-amino-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid (CAS 682775-89-9) is a chemical compound with molecular formula C8H9N5O4 and molecular weight 239.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(8-amino-3-methyl-2,6-dioxopurin-7-yl)acetic acid
Also Known As: ASN 03571846, 2-(8-amino-3-methyl-2,6-dioxopurin-7-yl)acetic acid, 2-(8-amino-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid, F1064-0048, (8-Amino-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-yl)-acetic acid
| Molecular Formula | C8H9N5O4 |
|---|---|
| Molecular Weight | 239.07 g/mol |
| LogP | -1.9099 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.06546 |
| Heavy Atoms | 17 |
| Complexity | 721.81635 |
Chemical Identifiers
| CAS Number | 682775-89-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N)CC(=O)O |
Product Overview
2-(8-amino-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid (CAS 682775-89-9), with molecular formula C8H9N5O4 and molecular weight 239.07 g/mol. IUPAC: 2-(8-amino-3-methyl-2,6-dioxopurin-7-yl)acetic acid.
Chemical Property Profile of 2-(8-amino-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid
Property Insights of 2-(8-amino-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid
The XLogP value of -1.9099 indicates that 2-(8-amino-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(8-amino-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid. Following Lipinski's Rule of Five, 2-(8-amino-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid has 3 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-(8-amino-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid?
The CAS number of 2-(8-amino-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid is 682775-89-9.
What is the molecular formula of 2-(8-amino-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid?
The molecular formula of 2-(8-amino-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid is C8H9N5O4.
What is the molecular weight of 2-(8-amino-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid?
The molecular weight of 2-(8-amino-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid is 239.07 g/mol.
Where can I buy 2-(8-amino-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid?
You can request a quote for 2-(8-amino-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-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-(8-amino-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(8-amino-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.