3-methyl-8-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione
TL;DR: 3-methyl-8-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione (CAS 714930-05-9) is a chemical compound with molecular formula C17H17N7O2S and molecular weight 383.12 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-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]purine-2,6-dione
Also Known As: 3-methyl-8-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione, 6-hydroxy-3-methyl-7-(4-methylbenzyl)-8-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3,7-dihydro-2H-purin-2-one, 3-methyl-7-[(4-methylphenyl)methyl]-8-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]purine-2,6-dione
| Molecular Formula | C17H17N7O2S |
|---|---|
| Molecular Weight | 383.12 g/mol |
| LogP | 1.05972 |
| Topological Polar Surface Area | 103.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 383.11646 |
| Heavy Atoms | 27 |
| Complexity | 1247.2522 |
Chemical Identifiers
| CAS Number | 714930-05-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2C3=C(N=C2SC4=NN=CN4C)N(C(=O)NC3=O)C |
Product Overview
3-methyl-8-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione (CAS 714930-05-9), with molecular formula C17H17N7O2S and molecular weight 383.12 g/mol. IUPAC: 3-methyl-7-[(4-methylphenyl)methyl]-8-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]purine-2,6-dione.
Chemical Property Profile of 3-methyl-8-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione
Property Insights of 3-methyl-8-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 1.05972 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-8-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione. The TPSA of 103.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-8-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 3-methyl-8-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione has 1 hydrogen bond donor(s) and 6 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-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 3-methyl-8-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione is 714930-05-9.
What is the molecular formula of 3-methyl-8-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 3-methyl-8-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione is C17H17N7O2S.
What is the molecular weight of 3-methyl-8-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 3-methyl-8-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione is 383.12 g/mol.
Where can I buy 3-methyl-8-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 3-methyl-8-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-7-(4-methylbenzyl)-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-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-8-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.