3-methyl-7-(3-methylbenzyl)-8-((4-methylthiazol-2-yl)thio)-1H-purine-2,6(3H,7H)-dione
TL;DR: 3-methyl-7-(3-methylbenzyl)-8-((4-methylthiazol-2-yl)thio)-1H-purine-2,6(3H,7H)-dione (CAS 838897-60-2) is a chemical compound with molecular formula C18H17N5O2S2 and molecular weight 399.08 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-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]purine-2,6-dione
Also Known As: 3-methyl-7-(3-methylbenzyl)-8-((4-methylthiazol-2-yl)thio)-1H-purine-2,6(3H,7H)-dione, 3-methyl-7-[(3-methylphenyl)methyl]-8-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]purine-2,6-dione, 3-methyl-8-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-7-[(3-methylphenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 3-methyl-8-(4-methyl(1,3-thiazol-2-ylthio))-7-[(3-methylphenyl)methyl]-1,3,7-t rihydropurine-2,6-dione, 6-hydroxy-3-methyl-7-(3-methylbenzyl)-8-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3,7-dihydro-2H-purin-2-one
| Molecular Formula | C18H17N5O2S2 |
|---|---|
| Molecular Weight | 399.08 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 399.08237 |
| Heavy Atoms | 27 |
| Complexity | 594.0 |
Chemical Identifiers
| CAS Number | 838897-60-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CN2C3=C(N=C2SC4=NC(=CS4)C)N(C(=O)NC3=O)C |
| InChIKey | ULHJIRJOLUYHRA-UHFFFAOYSA-N |
Product Overview
3-methyl-7-(3-methylbenzyl)-8-((4-methylthiazol-2-yl)thio)-1H-purine-2,6(3H,7H)-dione (CAS 838897-60-2), with molecular formula C18H17N5O2S2 and molecular weight 399.08 g/mol. IUPAC: 3-methyl-7-[(3-methylphenyl)methyl]-8-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]purine-2,6-dione.
Chemical Property Profile of 3-methyl-7-(3-methylbenzyl)-8-((4-methylthiazol-2-yl)thio)-1H-purine-2,6(3H,7H)-dione
Property Insights of 3-methyl-7-(3-methylbenzyl)-8-((4-methylthiazol-2-yl)thio)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 3.5 indicates that 3-methyl-7-(3-methylbenzyl)-8-((4-methylthiazol-2-yl)thio)-1H-purine-2,6(3H,7H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-7-(3-methylbenzyl)-8-((4-methylthiazol-2-yl)thio)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 3-methyl-7-(3-methylbenzyl)-8-((4-methylthiazol-2-yl)thio)-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-7-(3-methylbenzyl)-8-((4-methylthiazol-2-yl)thio)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 3-methyl-7-(3-methylbenzyl)-8-((4-methylthiazol-2-yl)thio)-1H-purine-2,6(3H,7H)-dione is 838897-60-2.
What is the molecular formula of 3-methyl-7-(3-methylbenzyl)-8-((4-methylthiazol-2-yl)thio)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 3-methyl-7-(3-methylbenzyl)-8-((4-methylthiazol-2-yl)thio)-1H-purine-2,6(3H,7H)-dione is C18H17N5O2S2.
What is the molecular weight of 3-methyl-7-(3-methylbenzyl)-8-((4-methylthiazol-2-yl)thio)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 3-methyl-7-(3-methylbenzyl)-8-((4-methylthiazol-2-yl)thio)-1H-purine-2,6(3H,7H)-dione is 399.08 g/mol.
Where can I buy 3-methyl-7-(3-methylbenzyl)-8-((4-methylthiazol-2-yl)thio)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 3-methyl-7-(3-methylbenzyl)-8-((4-methylthiazol-2-yl)thio)-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-((4-methylthiazol-2-yl)thio)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-7-(3-methylbenzyl)-8-((4-methylthiazol-2-yl)thio)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.