3-methyl-8-((2-methylallyl)thio)-7-pentyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 3-methyl-8-((2-methylallyl)thio)-7-pentyl-1H-purine-2,6(3H,7H)-dione (CAS 371234-89-8) is a chemical compound with molecular formula C15H22N4O2S and molecular weight 322.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-8-(2-methylprop-2-enylsulfanyl)-7-pentylpurine-2,6-dione
Also Known As: BAS 03819170, 3-methyl-8-((2-methylallyl)thio)-7-pentyl-1H-purine-2,6(3H,7H)-dione, AB00673536-01, F1167-0114, 3-methyl-8-(2-methylprop-2-enylsulfanyl)-7-pentylpurine-2,6-dione
| Molecular Formula | C15H22N4O2S |
|---|---|
| Molecular Weight | 322.15 g/mol |
| LogP | 2.2817 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 322.14636 |
| Heavy Atoms | 22 |
| Complexity | 800.2009 |
Chemical Identifiers
| CAS Number | 371234-89-8 |
|---|---|
| SMILES | CCCCCN1C2=C(N=C1SCC(=C)C)N(C(=O)NC2=O)C |
Product Overview
3-methyl-8-((2-methylallyl)thio)-7-pentyl-1H-purine-2,6(3H,7H)-dione (CAS 371234-89-8), with molecular formula C15H22N4O2S and molecular weight 322.15 g/mol. IUPAC: 3-methyl-8-(2-methylprop-2-enylsulfanyl)-7-pentylpurine-2,6-dione.
Chemical Property Profile of 3-methyl-8-((2-methylallyl)thio)-7-pentyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 3-methyl-8-((2-methylallyl)thio)-7-pentyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 2.2817 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-8-((2-methylallyl)thio)-7-pentyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-8-((2-methylallyl)thio)-7-pentyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 3-methyl-8-((2-methylallyl)thio)-7-pentyl-1H-purine-2,6(3H,7H)-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-((2-methylallyl)thio)-7-pentyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 3-methyl-8-((2-methylallyl)thio)-7-pentyl-1H-purine-2,6(3H,7H)-dione is 371234-89-8.
What is the molecular formula of 3-methyl-8-((2-methylallyl)thio)-7-pentyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 3-methyl-8-((2-methylallyl)thio)-7-pentyl-1H-purine-2,6(3H,7H)-dione is C15H22N4O2S.
What is the molecular weight of 3-methyl-8-((2-methylallyl)thio)-7-pentyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 3-methyl-8-((2-methylallyl)thio)-7-pentyl-1H-purine-2,6(3H,7H)-dione is 322.15 g/mol.
Where can I buy 3-methyl-8-((2-methylallyl)thio)-7-pentyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 3-methyl-8-((2-methylallyl)thio)-7-pentyl-1H-purine-2,6(3H,7H)-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-((2-methylallyl)thio)-7-pentyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-8-((2-methylallyl)thio)-7-pentyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.