![7-Benzyl-3-methyl-8-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]purine-2,6-dione structure](/static/products/6729/672944-39-7.webp)
7-Benzyl-3-methyl-8-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]purine-2,6-dione
TL;DR: 7-Benzyl-3-methyl-8-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]purine-2,6-dione (CAS 672944-39-7) is a chemical compound with molecular formula C16H15N7O2S and molecular weight 369.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-benzyl-3-methyl-8-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]purine-2,6-dione
Also Known As: UPCMLD0ENAT5732446:001, BAS 07401840, 7-benzyl-3-methyl-8-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]purine-2,6-dione, 3-methyl-8-(4-methyl(1,2,4-triazol-3-ylthio))-7-benzyl-1,3,7-trihydropurine-2, 6-dione, 7-benzyl-3-methyl-8-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C16H15N7O2S |
|---|---|
| Molecular Weight | 369.10 g/mol |
| LogP | 0.7513 |
| Topological Polar Surface Area | 103.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 369.1008 |
| Heavy Atoms | 26 |
| Complexity | 1203.0347 |
Chemical Identifiers
| CAS Number | 672944-39-7 |
|---|---|
| SMILES | CN1C=NN=C1SC2=NC3=C(N2CC4=CC=CC=C4)C(=O)NC(=O)N3C |
Product Overview
7-Benzyl-3-methyl-8-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]purine-2,6-dione (CAS 672944-39-7), with molecular formula C16H15N7O2S and molecular weight 369.10 g/mol. IUPAC: 7-benzyl-3-methyl-8-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]purine-2,6-dione.
Chemical Property Profile of 7-Benzyl-3-methyl-8-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]purine-2,6-dione
Property Insights of 7-Benzyl-3-methyl-8-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]purine-2,6-dione
The XLogP value of 0.7513 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Benzyl-3-methyl-8-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]purine-2,6-dione. The TPSA of 103.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Benzyl-3-methyl-8-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]purine-2,6-dione. Following Lipinski's Rule of Five, 7-Benzyl-3-methyl-8-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]purine-2,6-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 7-Benzyl-3-methyl-8-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]purine-2,6-dione?
The CAS number of 7-Benzyl-3-methyl-8-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]purine-2,6-dione is 672944-39-7.
What is the molecular formula of 7-Benzyl-3-methyl-8-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]purine-2,6-dione?
The molecular formula of 7-Benzyl-3-methyl-8-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]purine-2,6-dione is C16H15N7O2S.
What is the molecular weight of 7-Benzyl-3-methyl-8-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]purine-2,6-dione?
The molecular weight of 7-Benzyl-3-methyl-8-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]purine-2,6-dione is 369.10 g/mol.
Where can I buy 7-Benzyl-3-methyl-8-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]purine-2,6-dione?
You can request a quote for 7-Benzyl-3-methyl-8-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]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-3-methyl-8-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-Benzyl-3-methyl-8-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.