8-Heptylsulfanyl-3-methyl-7-(2-methyl-allyl)-3,7-dihydro-purine-2,6-dione
TL;DR: 8-Heptylsulfanyl-3-methyl-7-(2-methyl-allyl)-3,7-dihydro-purine-2,6-dione (CAS 332098-64-3) is a chemical compound with molecular formula C17H26N4O2S and molecular weight 350.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-heptylsulfanyl-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione
Also Known As: BAS 01108670, 8-Heptylsulfanyl-3-methyl-7-(2-methyl-allyl)-3,7-dihydro-purine-2,6-dione, 8-heptylsulfanyl-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione, 8-(heptylsulfanyl)-3-methyl-7-(2-methyl-2-propenyl)-3,7-dihydro-1H-purine-2,6-dione, 8-(heptylthio)-3-methyl-7-(2-methylallyl)-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C17H26N4O2S |
|---|---|
| Molecular Weight | 350.18 g/mol |
| LogP | 3.0619 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 350.17764 |
| Heavy Atoms | 24 |
| Complexity | 831.45374 |
Chemical Identifiers
| CAS Number | 332098-64-3 |
|---|---|
| SMILES | CCCCCCCSC1=NC2=C(N1CC(=C)C)C(=O)NC(=O)N2C |
Product Overview
8-Heptylsulfanyl-3-methyl-7-(2-methyl-allyl)-3,7-dihydro-purine-2,6-dione (CAS 332098-64-3), with molecular formula C17H26N4O2S and molecular weight 350.18 g/mol. IUPAC: 8-heptylsulfanyl-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione.
Chemical Property Profile of 8-Heptylsulfanyl-3-methyl-7-(2-methyl-allyl)-3,7-dihydro-purine-2,6-dione
Property Insights of 8-Heptylsulfanyl-3-methyl-7-(2-methyl-allyl)-3,7-dihydro-purine-2,6-dione
The XLogP value of 3.0619 indicates that 8-Heptylsulfanyl-3-methyl-7-(2-methyl-allyl)-3,7-dihydro-purine-2,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Heptylsulfanyl-3-methyl-7-(2-methyl-allyl)-3,7-dihydro-purine-2,6-dione. Following Lipinski's Rule of Five, 8-Heptylsulfanyl-3-methyl-7-(2-methyl-allyl)-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-Heptylsulfanyl-3-methyl-7-(2-methyl-allyl)-3,7-dihydro-purine-2,6-dione?
The CAS number of 8-Heptylsulfanyl-3-methyl-7-(2-methyl-allyl)-3,7-dihydro-purine-2,6-dione is 332098-64-3.
What is the molecular formula of 8-Heptylsulfanyl-3-methyl-7-(2-methyl-allyl)-3,7-dihydro-purine-2,6-dione?
The molecular formula of 8-Heptylsulfanyl-3-methyl-7-(2-methyl-allyl)-3,7-dihydro-purine-2,6-dione is C17H26N4O2S.
What is the molecular weight of 8-Heptylsulfanyl-3-methyl-7-(2-methyl-allyl)-3,7-dihydro-purine-2,6-dione?
The molecular weight of 8-Heptylsulfanyl-3-methyl-7-(2-methyl-allyl)-3,7-dihydro-purine-2,6-dione is 350.18 g/mol.
Where can I buy 8-Heptylsulfanyl-3-methyl-7-(2-methyl-allyl)-3,7-dihydro-purine-2,6-dione?
You can request a quote for 8-Heptylsulfanyl-3-methyl-7-(2-methyl-allyl)-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-Heptylsulfanyl-3-methyl-7-(2-methyl-allyl)-3,7-dihydro-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-Heptylsulfanyl-3-methyl-7-(2-methyl-allyl)-3,7-dihydro-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.