8-Hexyl-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione
TL;DR: 8-Hexyl-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione (CAS 5426-85-7) is a chemical compound with molecular formula C14H22N4O2 and molecular weight 278.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-hexyl-1,3,7-trimethylpurine-2,6-dione
Also Known As: acetaldehyde phenyl ethyl acetal, 8-hexyl-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione, 8-hexyl-1,3,7-trimethylpurine-2,6-dione, J3.131.963C, 8-Hexyl-1,3,7-trimethyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C14H22N4O2 |
|---|---|
| Molecular Weight | 278.17 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 58.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 278.1743 |
| Heavy Atoms | 20 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 5426-85-7 |
|---|---|
| SMILES | CCCCCCC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C |
| InChIKey | KNRQMFMCQPOTJQ-UHFFFAOYSA-N |
Product Overview
8-Hexyl-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione (CAS 5426-85-7), with molecular formula C14H22N4O2 and molecular weight 278.17 g/mol. IUPAC: 8-hexyl-1,3,7-trimethylpurine-2,6-dione.
Chemical Property Profile of 8-Hexyl-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione
Property Insights of 8-Hexyl-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Hexyl-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione. With a topological polar surface area (TPSA) of 58.4 Ų, 8-Hexyl-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-Hexyl-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione 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 8-Hexyl-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione?
The CAS number of 8-Hexyl-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione is 5426-85-7.
What is the molecular formula of 8-Hexyl-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione?
The molecular formula of 8-Hexyl-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione is C14H22N4O2.
What is the molecular weight of 8-Hexyl-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione?
The molecular weight of 8-Hexyl-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione is 278.17 g/mol.
Where can I buy 8-Hexyl-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione?
You can request a quote for 8-Hexyl-1,3,7-trimethyl-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 8-Hexyl-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-Hexyl-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.