9-Allyl-1,3,7-trimethyluric acid
TL;DR: 9-Allyl-1,3,7-trimethyluric acid (CAS 6287-61-2) is a chemical compound with molecular formula C11H14N4O3 and molecular weight 250.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,7-trimethyl-9-prop-2-enylpurine-2,6,8-trione
Also Known As: 9-Allyl-1,3,7-trimethyluric acid, Uric acid,3,7-trimethyl-, Uric acid, 9-allyl-1,3,7-trimethyl-, Uric acid, 9-allyl-1,3,7-trimethyl- (8CI), ALLYL-1,3,7-TRIMETHYLURIC ACID, 9-
| Molecular Formula | C11H14N4O3 |
|---|---|
| Molecular Weight | 250.11 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 64.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.1066 |
| Heavy Atoms | 18 |
| Complexity | 497.0 |
Chemical Identifiers
| CAS Number | 6287-61-2 |
|---|---|
| SMILES | CN1C2=C(N(C(=O)N(C2=O)C)C)N(C1=O)CC=C |
| InChIKey | QQTROBLXOBKTNK-UHFFFAOYSA-N |
Product Overview
9-Allyl-1,3,7-trimethyluric acid (CAS 6287-61-2), with molecular formula C11H14N4O3 and molecular weight 250.11 g/mol. IUPAC: 1,3,7-trimethyl-9-prop-2-enylpurine-2,6,8-trione.
Chemical Property Profile of 9-Allyl-1,3,7-trimethyluric acid
Property Insights of 9-Allyl-1,3,7-trimethyluric acid
The XLogP value of -0.5 indicates that 9-Allyl-1,3,7-trimethyluric acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 64.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-Allyl-1,3,7-trimethyluric acid. Following Lipinski's Rule of Five, 9-Allyl-1,3,7-trimethyluric acid has 0 hydrogen bond donor(s) and 3 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 9-Allyl-1,3,7-trimethyluric acid?
The CAS number of 9-Allyl-1,3,7-trimethyluric acid is 6287-61-2.
What is the molecular formula of 9-Allyl-1,3,7-trimethyluric acid?
The molecular formula of 9-Allyl-1,3,7-trimethyluric acid is C11H14N4O3.
What is the molecular weight of 9-Allyl-1,3,7-trimethyluric acid?
The molecular weight of 9-Allyl-1,3,7-trimethyluric acid is 250.11 g/mol.
Where can I buy 9-Allyl-1,3,7-trimethyluric acid?
You can request a quote for 9-Allyl-1,3,7-trimethyluric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Allyl-1,3,7-trimethyluric acid?
Yes, KEHONG BIO provides custom synthesis services for 9-Allyl-1,3,7-trimethyluric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.