(1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)acetic acid
TL;DR: (1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)acetic acid (CAS 6344-37-2) is a chemical compound with molecular formula C10H12N4O4 and molecular weight 252.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)acetic acid
Also Known As: 8-Caffeineacetic acid, KST-1A6950, (1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)acetic acid, 2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)acetic acid, 2-(1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)acetic acid
| Molecular Formula | C10H12N4O4 |
|---|---|
| Molecular Weight | 252.09 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 95.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.08586 |
| Heavy Atoms | 18 |
| Complexity | 413.0 |
Chemical Identifiers
| CAS Number | 6344-37-2 |
|---|---|
| SMILES | CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CC(=O)O |
| InChIKey | CTQOMMSPHMBJHE-UHFFFAOYSA-N |
Product Overview
(1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)acetic acid (CAS 6344-37-2), with molecular formula C10H12N4O4 and molecular weight 252.09 g/mol. IUPAC: 2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)acetic acid.
Chemical Property Profile of (1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)acetic acid
Property Insights of (1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)acetic acid
The XLogP value of -0.6 indicates that (1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)acetic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 95.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)acetic acid. Following Lipinski's Rule of Five, (1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-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 (1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)acetic acid?
The CAS number of (1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)acetic acid is 6344-37-2.
What is the molecular formula of (1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)acetic acid?
The molecular formula of (1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)acetic acid is C10H12N4O4.
What is the molecular weight of (1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)acetic acid?
The molecular weight of (1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)acetic acid is 252.09 g/mol.
Where can I buy (1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)acetic acid?
You can request a quote for (1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-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 (1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.