7-Isopropyl-3-methyl-8-octylsulfanyl-3,7-dihydro-purine-2,6-dione
TL;DR: 7-Isopropyl-3-methyl-8-octylsulfanyl-3,7-dihydro-purine-2,6-dione (CAS 330180-64-8) is a chemical compound with molecular formula C17H28N4O2S and molecular weight 352.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-8-octylsulfanyl-7-propan-2-ylpurine-2,6-dione
Also Known As: BAS 00552961, 3-methyl-8-octylsulfanyl-7-propan-2-ylpurine-2,6-dione, 7-Isopropyl-3-methyl-8-octylsulfanyl-3,7-dihydro-purine-2,6-dione, 3-methyl-8-(octylsulfanyl)-7-(propan-2-yl)-3,7-dihydro-1H-purine-2,6-dione, 7-isopropyl-3-methyl-8-(octylthio)-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C17H28N4O2S |
|---|---|
| Molecular Weight | 352.19 g/mol |
| LogP | 3.4568 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 352.1933 |
| Heavy Atoms | 24 |
| Complexity | 788.2101 |
Chemical Identifiers
| CAS Number | 330180-64-8 |
|---|---|
| SMILES | CCCCCCCCSC1=NC2=C(N1C(C)C)C(=O)NC(=O)N2C |
Product Overview
7-Isopropyl-3-methyl-8-octylsulfanyl-3,7-dihydro-purine-2,6-dione (CAS 330180-64-8), with molecular formula C17H28N4O2S and molecular weight 352.19 g/mol. IUPAC: 3-methyl-8-octylsulfanyl-7-propan-2-ylpurine-2,6-dione.
Chemical Property Profile of 7-Isopropyl-3-methyl-8-octylsulfanyl-3,7-dihydro-purine-2,6-dione
Property Insights of 7-Isopropyl-3-methyl-8-octylsulfanyl-3,7-dihydro-purine-2,6-dione
The XLogP value of 3.4568 indicates that 7-Isopropyl-3-methyl-8-octylsulfanyl-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 7-Isopropyl-3-methyl-8-octylsulfanyl-3,7-dihydro-purine-2,6-dione. Following Lipinski's Rule of Five, 7-Isopropyl-3-methyl-8-octylsulfanyl-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-Isopropyl-3-methyl-8-octylsulfanyl-3,7-dihydro-purine-2,6-dione?
The CAS number of 7-Isopropyl-3-methyl-8-octylsulfanyl-3,7-dihydro-purine-2,6-dione is 330180-64-8.
What is the molecular formula of 7-Isopropyl-3-methyl-8-octylsulfanyl-3,7-dihydro-purine-2,6-dione?
The molecular formula of 7-Isopropyl-3-methyl-8-octylsulfanyl-3,7-dihydro-purine-2,6-dione is C17H28N4O2S.
What is the molecular weight of 7-Isopropyl-3-methyl-8-octylsulfanyl-3,7-dihydro-purine-2,6-dione?
The molecular weight of 7-Isopropyl-3-methyl-8-octylsulfanyl-3,7-dihydro-purine-2,6-dione is 352.19 g/mol.
Where can I buy 7-Isopropyl-3-methyl-8-octylsulfanyl-3,7-dihydro-purine-2,6-dione?
You can request a quote for 7-Isopropyl-3-methyl-8-octylsulfanyl-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-Isopropyl-3-methyl-8-octylsulfanyl-3,7-dihydro-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-Isopropyl-3-methyl-8-octylsulfanyl-3,7-dihydro-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.