![7-benzyl-1,3-dimethyl-8-{[(4-methylphenyl)methyl]sulfanyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione structure](/static/products/3729/372971-73-8.webp)
7-benzyl-1,3-dimethyl-8-{[(4-methylphenyl)methyl]sulfanyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione
TL;DR: 7-benzyl-1,3-dimethyl-8-{[(4-methylphenyl)methyl]sulfanyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione (CAS 372971-73-8) is a chemical compound with molecular formula C22H22N4O2S and molecular weight 406.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-benzyl-1,3-dimethyl-8-[(4-methylphenyl)methylsulfanyl]purine-2,6-dione
Also Known As: 7-benzyl-1,3-dimethyl-8-{[(4-methylphenyl)methyl]sulfanyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 7-benzyl-1,3-dimethyl-8-[(4-methylphenyl)methylsulfanyl]purine-2,6-dione, 1,3-dimethyl-8-[(4-methylphenyl)methylthio]-7-benzyl-1,3,7-trihydropurine-2,6- dione, 7-benzyl-1,3-dimethyl-8-((4-methylbenzyl)thio)-1H-purine-2,6(3H,7H)-dione, 7-benzyl-1,3-dimethyl-8-[(4-methylbenzyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C22H22N4O2S |
|---|---|
| Molecular Weight | 406.15 g/mol |
| LogP | 3.08272 |
| Topological Polar Surface Area | 61.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 406.14636 |
| Heavy Atoms | 29 |
| Complexity | 1285.1294 |
Chemical Identifiers
| CAS Number | 372971-73-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CSC2=NC3=C(N2CC4=CC=CC=C4)C(=O)N(C(=O)N3C)C |
Product Overview
7-benzyl-1,3-dimethyl-8-{[(4-methylphenyl)methyl]sulfanyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione (CAS 372971-73-8), with molecular formula C22H22N4O2S and molecular weight 406.15 g/mol. IUPAC: 7-benzyl-1,3-dimethyl-8-[(4-methylphenyl)methylsulfanyl]purine-2,6-dione.
Chemical Property Profile of 7-benzyl-1,3-dimethyl-8-{[(4-methylphenyl)methyl]sulfanyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Property Insights of 7-benzyl-1,3-dimethyl-8-{[(4-methylphenyl)methyl]sulfanyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione
The XLogP value of 3.08272 indicates that 7-benzyl-1,3-dimethyl-8-{[(4-methylphenyl)methyl]sulfanyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-benzyl-1,3-dimethyl-8-{[(4-methylphenyl)methyl]sulfanyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 7-benzyl-1,3-dimethyl-8-{[(4-methylphenyl)methyl]sulfanyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione has 0 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-benzyl-1,3-dimethyl-8-{[(4-methylphenyl)methyl]sulfanyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The CAS number of 7-benzyl-1,3-dimethyl-8-{[(4-methylphenyl)methyl]sulfanyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione is 372971-73-8.
What is the molecular formula of 7-benzyl-1,3-dimethyl-8-{[(4-methylphenyl)methyl]sulfanyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The molecular formula of 7-benzyl-1,3-dimethyl-8-{[(4-methylphenyl)methyl]sulfanyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione is C22H22N4O2S.
What is the molecular weight of 7-benzyl-1,3-dimethyl-8-{[(4-methylphenyl)methyl]sulfanyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The molecular weight of 7-benzyl-1,3-dimethyl-8-{[(4-methylphenyl)methyl]sulfanyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione is 406.15 g/mol.
Where can I buy 7-benzyl-1,3-dimethyl-8-{[(4-methylphenyl)methyl]sulfanyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
You can request a quote for 7-benzyl-1,3-dimethyl-8-{[(4-methylphenyl)methyl]sulfanyl}-2,3,6,7-tetrahydro-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 7-benzyl-1,3-dimethyl-8-{[(4-methylphenyl)methyl]sulfanyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-benzyl-1,3-dimethyl-8-{[(4-methylphenyl)methyl]sulfanyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.