3-methyl-7-(3-methylbenzyl)-8-(methylthio)-1H-purine-2,6(3H,7H)-dione
TL;DR: 3-methyl-7-(3-methylbenzyl)-8-(methylthio)-1H-purine-2,6(3H,7H)-dione (CAS 332897-25-3) is a chemical compound with molecular formula C15H16N4O2S and molecular weight 316.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-7-[(3-methylphenyl)methyl]-8-methylsulfanylpurine-2,6-dione
Also Known As: UPCMLD0ENAT5734721:001, BAS 00844534, AB01299265-01, 3-methyl-7-(3-methylbenzyl)-8-(methylthio)-1H-purine-2,6(3H,7H)-dione, F0372-0457
| Molecular Formula | C15H16N4O2S |
|---|---|
| Molecular Weight | 316.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 92.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 316.0994 |
| Heavy Atoms | 22 |
| Complexity | 461.0 |
Chemical Identifiers
| CAS Number | 332897-25-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CN2C3=C(N=C2SC)N(C(=O)NC3=O)C |
| InChIKey | AGYYDJIXOBKTEG-UHFFFAOYSA-N |
Product Overview
3-methyl-7-(3-methylbenzyl)-8-(methylthio)-1H-purine-2,6(3H,7H)-dione (CAS 332897-25-3), with molecular formula C15H16N4O2S and molecular weight 316.10 g/mol. IUPAC: 3-methyl-7-[(3-methylphenyl)methyl]-8-methylsulfanylpurine-2,6-dione.
Chemical Property Profile of 3-methyl-7-(3-methylbenzyl)-8-(methylthio)-1H-purine-2,6(3H,7H)-dione
Property Insights of 3-methyl-7-(3-methylbenzyl)-8-(methylthio)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-7-(3-methylbenzyl)-8-(methylthio)-1H-purine-2,6(3H,7H)-dione. The TPSA of 92.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-7-(3-methylbenzyl)-8-(methylthio)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 3-methyl-7-(3-methylbenzyl)-8-(methylthio)-1H-purine-2,6(3H,7H)-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 3-methyl-7-(3-methylbenzyl)-8-(methylthio)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 3-methyl-7-(3-methylbenzyl)-8-(methylthio)-1H-purine-2,6(3H,7H)-dione is 332897-25-3.
What is the molecular formula of 3-methyl-7-(3-methylbenzyl)-8-(methylthio)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 3-methyl-7-(3-methylbenzyl)-8-(methylthio)-1H-purine-2,6(3H,7H)-dione is C15H16N4O2S.
What is the molecular weight of 3-methyl-7-(3-methylbenzyl)-8-(methylthio)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 3-methyl-7-(3-methylbenzyl)-8-(methylthio)-1H-purine-2,6(3H,7H)-dione is 316.10 g/mol.
Where can I buy 3-methyl-7-(3-methylbenzyl)-8-(methylthio)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 3-methyl-7-(3-methylbenzyl)-8-(methylthio)-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-7-(3-methylbenzyl)-8-(methylthio)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-7-(3-methylbenzyl)-8-(methylthio)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.