1,3-dimethyl-7-(3-methylbenzyl)-8-(phenethylthio)-1H-purine-2,6(3H,7H)-dione
TL;DR: 1,3-dimethyl-7-(3-methylbenzyl)-8-(phenethylthio)-1H-purine-2,6(3H,7H)-dione (CAS 442865-23-8) is a chemical compound with molecular formula C23H24N4O2S and molecular weight 420.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-(2-phenylethylsulfanyl)purine-2,6-dione
Also Known As: AB00673529-01, F1167-0083, 1,3-dimethyl-7-(3-methylbenzyl)-8-(phenethylthio)-1H-purine-2,6(3H,7H)-dione, 1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-[(2-phenylethyl)sulfanyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-(2-phenylethylsulfanyl)purine-2,6-dione
| Molecular Formula | C23H24N4O2S |
|---|---|
| Molecular Weight | 420.16 g/mol |
| LogP | 3.12522 |
| Topological Polar Surface Area | 61.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 420.162 |
| Heavy Atoms | 30 |
| Complexity | 1319.0286 |
Chemical Identifiers
| CAS Number | 442865-23-8 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CN2C3=C(N=C2SCCC4=CC=CC=C4)N(C(=O)N(C3=O)C)C |
Product Overview
1,3-dimethyl-7-(3-methylbenzyl)-8-(phenethylthio)-1H-purine-2,6(3H,7H)-dione (CAS 442865-23-8), with molecular formula C23H24N4O2S and molecular weight 420.16 g/mol. IUPAC: 1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-(2-phenylethylsulfanyl)purine-2,6-dione.
Chemical Property Profile of 1,3-dimethyl-7-(3-methylbenzyl)-8-(phenethylthio)-1H-purine-2,6(3H,7H)-dione
Property Insights of 1,3-dimethyl-7-(3-methylbenzyl)-8-(phenethylthio)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 3.12522 indicates that 1,3-dimethyl-7-(3-methylbenzyl)-8-(phenethylthio)-1H-purine-2,6(3H,7H)-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 1,3-dimethyl-7-(3-methylbenzyl)-8-(phenethylthio)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 1,3-dimethyl-7-(3-methylbenzyl)-8-(phenethylthio)-1H-purine-2,6(3H,7H)-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 1,3-dimethyl-7-(3-methylbenzyl)-8-(phenethylthio)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 1,3-dimethyl-7-(3-methylbenzyl)-8-(phenethylthio)-1H-purine-2,6(3H,7H)-dione is 442865-23-8.
What is the molecular formula of 1,3-dimethyl-7-(3-methylbenzyl)-8-(phenethylthio)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 1,3-dimethyl-7-(3-methylbenzyl)-8-(phenethylthio)-1H-purine-2,6(3H,7H)-dione is C23H24N4O2S.
What is the molecular weight of 1,3-dimethyl-7-(3-methylbenzyl)-8-(phenethylthio)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 1,3-dimethyl-7-(3-methylbenzyl)-8-(phenethylthio)-1H-purine-2,6(3H,7H)-dione is 420.16 g/mol.
Where can I buy 1,3-dimethyl-7-(3-methylbenzyl)-8-(phenethylthio)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 1,3-dimethyl-7-(3-methylbenzyl)-8-(phenethylthio)-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 1,3-dimethyl-7-(3-methylbenzyl)-8-(phenethylthio)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,3-dimethyl-7-(3-methylbenzyl)-8-(phenethylthio)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.