1-(4-Acetyl-5-oxohexyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 1-(4-Acetyl-5-oxohexyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 75007-16-8) is a chemical compound with molecular formula C15H20N4O4 and molecular weight 320.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-acetyl-5-oxohexyl)-3,7-dimethylpurine-2,6-dione
Also Known As: 1-(4-acetyl-5-oxohexyl)-3,7-dimethylpurine-2,6-dione, 1-(4-acetyl-5-oxo-hexyl)-3,7-dimethyl-purine-2,6-dione, 1-(4-Acetyl-5-oxohexyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C15H20N4O4 |
|---|---|
| Molecular Weight | 320.15 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 92.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 320.14847 |
| Heavy Atoms | 23 |
| Complexity | 522.0 |
Chemical Identifiers
| CAS Number | 75007-16-8 |
|---|---|
| SMILES | CC(=O)C(CCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)C(=O)C |
| InChIKey | GZAGJCRLIGRYTN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-Acetyl-5-oxohexyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 75007-16-8), with molecular formula C15H20N4O4 and molecular weight 320.15 g/mol. IUPAC: 1-(4-acetyl-5-oxohexyl)-3,7-dimethylpurine-2,6-dione.
Chemical Property Profile of 1-(4-Acetyl-5-oxohexyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 1-(4-Acetyl-5-oxohexyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Acetyl-5-oxohexyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 92.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Acetyl-5-oxohexyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 1-(4-Acetyl-5-oxohexyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione has 0 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-(4-Acetyl-5-oxohexyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 1-(4-Acetyl-5-oxohexyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione is 75007-16-8.
What is the molecular formula of 1-(4-Acetyl-5-oxohexyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 1-(4-Acetyl-5-oxohexyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione is C15H20N4O4.
What is the molecular weight of 1-(4-Acetyl-5-oxohexyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 1-(4-Acetyl-5-oxohexyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione is 320.15 g/mol.
Where can I buy 1-(4-Acetyl-5-oxohexyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 1-(4-Acetyl-5-oxohexyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Acetyl-5-oxohexyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Acetyl-5-oxohexyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.