8-Diethylamino-7-hexyl-3-methyl-3,7-dihydro-purine-2,6-dione
TL;DR: 8-Diethylamino-7-hexyl-3-methyl-3,7-dihydro-purine-2,6-dione (CAS 300703-48-4) is a chemical compound with molecular formula C16H27N5O2 and molecular weight 321.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(diethylamino)-7-hexyl-3-methylpurine-2,6-dione
Also Known As: BAS 00442405, 8-Diethylamino-7-hexyl-3-methyl-3,7-dihydro-purine-2,6-dione, 8-(diethylamino)-7-hexyl-3-methylpurine-2,6-dione, 8-(diethylamino)-7-hexyl-3-methyl-1,3,7-trihydropurine-2,6-dione, 8-(diethylamino)-7-hexyl-3-methyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C16H27N5O2 |
|---|---|
| Molecular Weight | 321.22 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 70.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 321.21646 |
| Heavy Atoms | 23 |
| Complexity | 427.0 |
Chemical Identifiers
| CAS Number | 300703-48-4 |
|---|---|
| SMILES | CCCCCCN1C2=C(N=C1N(CC)CC)N(C(=O)NC2=O)C |
| InChIKey | GVLOYUUIHWNJRZ-UHFFFAOYSA-N |
Product Overview
8-Diethylamino-7-hexyl-3-methyl-3,7-dihydro-purine-2,6-dione (CAS 300703-48-4), with molecular formula C16H27N5O2 and molecular weight 321.22 g/mol. IUPAC: 8-(diethylamino)-7-hexyl-3-methylpurine-2,6-dione.
Chemical Property Profile of 8-Diethylamino-7-hexyl-3-methyl-3,7-dihydro-purine-2,6-dione
Property Insights of 8-Diethylamino-7-hexyl-3-methyl-3,7-dihydro-purine-2,6-dione
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Diethylamino-7-hexyl-3-methyl-3,7-dihydro-purine-2,6-dione. The TPSA of 70.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Diethylamino-7-hexyl-3-methyl-3,7-dihydro-purine-2,6-dione. Following Lipinski's Rule of Five, 8-Diethylamino-7-hexyl-3-methyl-3,7-dihydro-purine-2,6-dione has 1 hydrogen bond donor(s) and 4 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-Diethylamino-7-hexyl-3-methyl-3,7-dihydro-purine-2,6-dione?
The CAS number of 8-Diethylamino-7-hexyl-3-methyl-3,7-dihydro-purine-2,6-dione is 300703-48-4.
What is the molecular formula of 8-Diethylamino-7-hexyl-3-methyl-3,7-dihydro-purine-2,6-dione?
The molecular formula of 8-Diethylamino-7-hexyl-3-methyl-3,7-dihydro-purine-2,6-dione is C16H27N5O2.
What is the molecular weight of 8-Diethylamino-7-hexyl-3-methyl-3,7-dihydro-purine-2,6-dione?
The molecular weight of 8-Diethylamino-7-hexyl-3-methyl-3,7-dihydro-purine-2,6-dione is 321.22 g/mol.
Where can I buy 8-Diethylamino-7-hexyl-3-methyl-3,7-dihydro-purine-2,6-dione?
You can request a quote for 8-Diethylamino-7-hexyl-3-methyl-3,7-dihydro-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-Diethylamino-7-hexyl-3-methyl-3,7-dihydro-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-Diethylamino-7-hexyl-3-methyl-3,7-dihydro-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.