3-methyl-7-(3-methylbenzyl)-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 3-methyl-7-(3-methylbenzyl)-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione (CAS 332033-62-2) is a chemical compound with molecular formula C14H14N4O2S and molecular weight 302.08 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-sulfanylidene-9H-purine-2,6-dione
Also Known As: BAS 00844533, 3-methyl-7-(3-methylbenzyl)-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione, 8-mercapto-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione, 3-methyl-7-[(3-methylphenyl)methyl]-8-sulfanylidene-9H-purine-2,6-dione, F0381-3210
| Molecular Formula | C14H14N4O2S |
|---|---|
| Molecular Weight | 302.08 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 96.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 302.08374 |
| Heavy Atoms | 21 |
| Complexity | 545.0 |
Chemical Identifiers
| CAS Number | 332033-62-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CN2C3=C(NC2=S)N(C(=O)NC3=O)C |
| InChIKey | TUOHWSGPPNXMMY-UHFFFAOYSA-N |
Product Overview
3-methyl-7-(3-methylbenzyl)-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione (CAS 332033-62-2), with molecular formula C14H14N4O2S and molecular weight 302.08 g/mol. IUPAC: 3-methyl-7-[(3-methylphenyl)methyl]-8-sulfanylidene-9H-purine-2,6-dione.
Chemical Property Profile of 3-methyl-7-(3-methylbenzyl)-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 3-methyl-7-(3-methylbenzyl)-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-7-(3-methylbenzyl)-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 96.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-7-(3-methylbenzyl)-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 3-methyl-7-(3-methylbenzyl)-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione has 2 hydrogen bond donor(s) and 3 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-sulfanyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 3-methyl-7-(3-methylbenzyl)-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione is 332033-62-2.
What is the molecular formula of 3-methyl-7-(3-methylbenzyl)-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 3-methyl-7-(3-methylbenzyl)-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione is C14H14N4O2S.
What is the molecular weight of 3-methyl-7-(3-methylbenzyl)-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 3-methyl-7-(3-methylbenzyl)-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione is 302.08 g/mol.
Where can I buy 3-methyl-7-(3-methylbenzyl)-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 3-methyl-7-(3-methylbenzyl)-8-sulfanyl-3,7-dihydro-1H-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 3-methyl-7-(3-methylbenzyl)-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-7-(3-methylbenzyl)-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.