7-Hexyl-8-isobutylsulfanyl-3-methyl-3,7-dihydro-purine-2,6-dione
TL;DR: 7-Hexyl-8-isobutylsulfanyl-3-methyl-3,7-dihydro-purine-2,6-dione (CAS 332033-51-9) is a chemical compound with molecular formula C16H26N4O2S and molecular weight 338.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-hexyl-3-methyl-8-(2-methylpropylsulfanyl)purine-2,6-dione
Also Known As: BAS 00844500, 7-Hexyl-8-isobutylsulfanyl-3-methyl-3,7-dihydro-purine-2,6-dione, 7-hexyl-3-methyl-8-(2-methylpropylsulfanyl)purine-2,6-dione, 7-hexyl-8-(isobutylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione, 7-hexyl-3-methyl-8-[(2-methylpropyl)sulfanyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C16H26N4O2S |
|---|---|
| Molecular Weight | 338.18 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 92.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 338.17764 |
| Heavy Atoms | 23 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 332033-51-9 |
|---|---|
| SMILES | CCCCCCN1C2=C(N=C1SCC(C)C)N(C(=O)NC2=O)C |
| InChIKey | ACRRTNCMXDOPHR-UHFFFAOYSA-N |
Product Overview
7-Hexyl-8-isobutylsulfanyl-3-methyl-3,7-dihydro-purine-2,6-dione (CAS 332033-51-9), with molecular formula C16H26N4O2S and molecular weight 338.18 g/mol. IUPAC: 7-hexyl-3-methyl-8-(2-methylpropylsulfanyl)purine-2,6-dione.
Chemical Property Profile of 7-Hexyl-8-isobutylsulfanyl-3-methyl-3,7-dihydro-purine-2,6-dione
Property Insights of 7-Hexyl-8-isobutylsulfanyl-3-methyl-3,7-dihydro-purine-2,6-dione
The XLogP value of 3.8 indicates that 7-Hexyl-8-isobutylsulfanyl-3-methyl-3,7-dihydro-purine-2,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Hexyl-8-isobutylsulfanyl-3-methyl-3,7-dihydro-purine-2,6-dione. Following Lipinski's Rule of Five, 7-Hexyl-8-isobutylsulfanyl-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 7-Hexyl-8-isobutylsulfanyl-3-methyl-3,7-dihydro-purine-2,6-dione?
The CAS number of 7-Hexyl-8-isobutylsulfanyl-3-methyl-3,7-dihydro-purine-2,6-dione is 332033-51-9.
What is the molecular formula of 7-Hexyl-8-isobutylsulfanyl-3-methyl-3,7-dihydro-purine-2,6-dione?
The molecular formula of 7-Hexyl-8-isobutylsulfanyl-3-methyl-3,7-dihydro-purine-2,6-dione is C16H26N4O2S.
What is the molecular weight of 7-Hexyl-8-isobutylsulfanyl-3-methyl-3,7-dihydro-purine-2,6-dione?
The molecular weight of 7-Hexyl-8-isobutylsulfanyl-3-methyl-3,7-dihydro-purine-2,6-dione is 338.18 g/mol.
Where can I buy 7-Hexyl-8-isobutylsulfanyl-3-methyl-3,7-dihydro-purine-2,6-dione?
You can request a quote for 7-Hexyl-8-isobutylsulfanyl-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 7-Hexyl-8-isobutylsulfanyl-3-methyl-3,7-dihydro-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-Hexyl-8-isobutylsulfanyl-3-methyl-3,7-dihydro-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.