![3-methyl-8-[(3-methylbutyl)sulfanyl]-7-propyl-3,7-dihydro-1H-purine-2,6-dione structure](/static/products/316/316360-69-7.png)
3-methyl-8-[(3-methylbutyl)sulfanyl]-7-propyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 3-methyl-8-[(3-methylbutyl)sulfanyl]-7-propyl-3,7-dihydro-1H-purine-2,6-dione (CAS 316360-69-7) is a chemical compound with molecular formula C14H22N4O2S and molecular weight 310.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-8-(3-methylbutylsulfanyl)-7-propylpurine-2,6-dione
Also Known As: BAS 00552934, 3-methyl-8-(3-methylbutylsulfanyl)-7-propylpurine-2,6-dione, 8-(isopentylthio)-3-methyl-7-propyl-1H-purine-2,6(3H,7H)-dione, 3-Methyl-8-(3-methyl-butylsulfanyl)-7-propyl-3,7-dihydro-purine-2,6-dione, 3-methyl-8-[(3-methylbutyl)sulfanyl]-7-propyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C14H22N4O2S |
|---|---|
| Molecular Weight | 310.15 g/mol |
| LogP | 1.9715 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 310.14636 |
| Heavy Atoms | 21 |
| Complexity | 741.73755 |
Chemical Identifiers
| CAS Number | 316360-69-7 |
|---|---|
| SMILES | CCCN1C2=C(N=C1SCCC(C)C)N(C(=O)NC2=O)C |
Product Overview
3-methyl-8-[(3-methylbutyl)sulfanyl]-7-propyl-3,7-dihydro-1H-purine-2,6-dione (CAS 316360-69-7), with molecular formula C14H22N4O2S and molecular weight 310.15 g/mol. IUPAC: 3-methyl-8-(3-methylbutylsulfanyl)-7-propylpurine-2,6-dione.
Chemical Property Profile of 3-methyl-8-[(3-methylbutyl)sulfanyl]-7-propyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 3-methyl-8-[(3-methylbutyl)sulfanyl]-7-propyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 1.9715 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-8-[(3-methylbutyl)sulfanyl]-7-propyl-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-8-[(3-methylbutyl)sulfanyl]-7-propyl-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 3-methyl-8-[(3-methylbutyl)sulfanyl]-7-propyl-3,7-dihydro-1H-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-methylbutyl)sulfanyl]-7-propyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 3-methyl-8-[(3-methylbutyl)sulfanyl]-7-propyl-3,7-dihydro-1H-purine-2,6-dione is 316360-69-7.
What is the molecular formula of 3-methyl-8-[(3-methylbutyl)sulfanyl]-7-propyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 3-methyl-8-[(3-methylbutyl)sulfanyl]-7-propyl-3,7-dihydro-1H-purine-2,6-dione is C14H22N4O2S.
What is the molecular weight of 3-methyl-8-[(3-methylbutyl)sulfanyl]-7-propyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 3-methyl-8-[(3-methylbutyl)sulfanyl]-7-propyl-3,7-dihydro-1H-purine-2,6-dione is 310.15 g/mol.
Where can I buy 3-methyl-8-[(3-methylbutyl)sulfanyl]-7-propyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 3-methyl-8-[(3-methylbutyl)sulfanyl]-7-propyl-3,7-dihydro-1H-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-methylbutyl)sulfanyl]-7-propyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-8-[(3-methylbutyl)sulfanyl]-7-propyl-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.