3-Methyl-8-(3-methyl-butylsulfanyl)-7-pentyl-3,7-dihydro-purine-2,6-dione
TL;DR: 3-Methyl-8-(3-methyl-butylsulfanyl)-7-pentyl-3,7-dihydro-purine-2,6-dione (CAS 331841-56-6) 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.
3-methyl-8-(3-methylbutylsulfanyl)-7-pentylpurine-2,6-dione
Also Known As: BAS 00620102, 7-amyl-8-(isoamylthio)-3-methyl-xanthine, 3-methyl-8-(3-methylbutylsulfanyl)-7-pentylpurine-2,6-dione, 3-Methyl-8-(3-methyl-butylsulfanyl)-7-pentyl-3,7-dihydro-purine-2,6-dione, 3-methyl-8-(3-methylbutylthio)-7-pentylpurine-2,6-dione
| Molecular Formula | C16H26N4O2S |
|---|---|
| Molecular Weight | 338.18 g/mol |
| LogP | 3.6 |
| 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 | 331841-56-6 |
|---|---|
| SMILES | CCCCCN1C2=C(N=C1SCCC(C)C)N(C(=O)NC2=O)C |
| InChIKey | LNKQASMLFLUOQP-UHFFFAOYSA-N |
Product Overview
3-Methyl-8-(3-methyl-butylsulfanyl)-7-pentyl-3,7-dihydro-purine-2,6-dione (CAS 331841-56-6), with molecular formula C16H26N4O2S and molecular weight 338.18 g/mol. IUPAC: 3-methyl-8-(3-methylbutylsulfanyl)-7-pentylpurine-2,6-dione.
Chemical Property Profile of 3-Methyl-8-(3-methyl-butylsulfanyl)-7-pentyl-3,7-dihydro-purine-2,6-dione
Property Insights of 3-Methyl-8-(3-methyl-butylsulfanyl)-7-pentyl-3,7-dihydro-purine-2,6-dione
The XLogP value of 3.6 indicates that 3-Methyl-8-(3-methyl-butylsulfanyl)-7-pentyl-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 3-Methyl-8-(3-methyl-butylsulfanyl)-7-pentyl-3,7-dihydro-purine-2,6-dione. Following Lipinski's Rule of Five, 3-Methyl-8-(3-methyl-butylsulfanyl)-7-pentyl-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 3-Methyl-8-(3-methyl-butylsulfanyl)-7-pentyl-3,7-dihydro-purine-2,6-dione?
The CAS number of 3-Methyl-8-(3-methyl-butylsulfanyl)-7-pentyl-3,7-dihydro-purine-2,6-dione is 331841-56-6.
What is the molecular formula of 3-Methyl-8-(3-methyl-butylsulfanyl)-7-pentyl-3,7-dihydro-purine-2,6-dione?
The molecular formula of 3-Methyl-8-(3-methyl-butylsulfanyl)-7-pentyl-3,7-dihydro-purine-2,6-dione is C16H26N4O2S.
What is the molecular weight of 3-Methyl-8-(3-methyl-butylsulfanyl)-7-pentyl-3,7-dihydro-purine-2,6-dione?
The molecular weight of 3-Methyl-8-(3-methyl-butylsulfanyl)-7-pentyl-3,7-dihydro-purine-2,6-dione is 338.18 g/mol.
Where can I buy 3-Methyl-8-(3-methyl-butylsulfanyl)-7-pentyl-3,7-dihydro-purine-2,6-dione?
You can request a quote for 3-Methyl-8-(3-methyl-butylsulfanyl)-7-pentyl-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 3-Methyl-8-(3-methyl-butylsulfanyl)-7-pentyl-3,7-dihydro-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-8-(3-methyl-butylsulfanyl)-7-pentyl-3,7-dihydro-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.