8-Isobutylsulfanyl-3-methyl-7-(4-methyl-benzyl)-3,7-dihydro-purine-2,6-dione
TL;DR: 8-Isobutylsulfanyl-3-methyl-7-(4-methyl-benzyl)-3,7-dihydro-purine-2,6-dione (CAS 303969-99-5) is a chemical compound with molecular formula C18H22N4O2S and molecular weight 358.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-7-[(4-methylphenyl)methyl]-8-(2-methylpropylsulfanyl)purine-2,6-dione
Also Known As: BAS 00964140, 8-(isobutylthio)-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione, 8-Isobutylsulfanyl-3-methyl-7-(4-methyl-benzyl)-3,7-dihydro-purine-2,6-dione, 8-(isobutylthio)-3-methyl-7-(4-methylbenzyl)xanthine, 3-methyl-7-[(4-methylphenyl)methyl]-8-(2-methylpropylsulfanyl)purine-2,6-dione
| Molecular Formula | C18H22N4O2S |
|---|---|
| Molecular Weight | 358.15 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 92.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 358.14636 |
| Heavy Atoms | 25 |
| Complexity | 507.0 |
Chemical Identifiers
| CAS Number | 303969-99-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2C3=C(N=C2SCC(C)C)N(C(=O)NC3=O)C |
| InChIKey | WNNVCUBRMUPPQE-UHFFFAOYSA-N |
Product Overview
8-Isobutylsulfanyl-3-methyl-7-(4-methyl-benzyl)-3,7-dihydro-purine-2,6-dione (CAS 303969-99-5), with molecular formula C18H22N4O2S and molecular weight 358.15 g/mol. IUPAC: 3-methyl-7-[(4-methylphenyl)methyl]-8-(2-methylpropylsulfanyl)purine-2,6-dione.
Chemical Property Profile of 8-Isobutylsulfanyl-3-methyl-7-(4-methyl-benzyl)-3,7-dihydro-purine-2,6-dione
Property Insights of 8-Isobutylsulfanyl-3-methyl-7-(4-methyl-benzyl)-3,7-dihydro-purine-2,6-dione
The XLogP value of 3.5 indicates that 8-Isobutylsulfanyl-3-methyl-7-(4-methyl-benzyl)-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 8-Isobutylsulfanyl-3-methyl-7-(4-methyl-benzyl)-3,7-dihydro-purine-2,6-dione. Following Lipinski's Rule of Five, 8-Isobutylsulfanyl-3-methyl-7-(4-methyl-benzyl)-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 8-Isobutylsulfanyl-3-methyl-7-(4-methyl-benzyl)-3,7-dihydro-purine-2,6-dione?
The CAS number of 8-Isobutylsulfanyl-3-methyl-7-(4-methyl-benzyl)-3,7-dihydro-purine-2,6-dione is 303969-99-5.
What is the molecular formula of 8-Isobutylsulfanyl-3-methyl-7-(4-methyl-benzyl)-3,7-dihydro-purine-2,6-dione?
The molecular formula of 8-Isobutylsulfanyl-3-methyl-7-(4-methyl-benzyl)-3,7-dihydro-purine-2,6-dione is C18H22N4O2S.
What is the molecular weight of 8-Isobutylsulfanyl-3-methyl-7-(4-methyl-benzyl)-3,7-dihydro-purine-2,6-dione?
The molecular weight of 8-Isobutylsulfanyl-3-methyl-7-(4-methyl-benzyl)-3,7-dihydro-purine-2,6-dione is 358.15 g/mol.
Where can I buy 8-Isobutylsulfanyl-3-methyl-7-(4-methyl-benzyl)-3,7-dihydro-purine-2,6-dione?
You can request a quote for 8-Isobutylsulfanyl-3-methyl-7-(4-methyl-benzyl)-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 8-Isobutylsulfanyl-3-methyl-7-(4-methyl-benzyl)-3,7-dihydro-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-Isobutylsulfanyl-3-methyl-7-(4-methyl-benzyl)-3,7-dihydro-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.