3-Methyl-7-(2-oxo-2-phenylethyl)-8-sulfanyl-1,3,7-trihydropurine-2,6-dione
TL;DR: 3-Methyl-7-(2-oxo-2-phenylethyl)-8-sulfanyl-1,3,7-trihydropurine-2,6-dione (CAS 331725-89-4) is a chemical compound with molecular formula C14H12N4O3S and molecular weight 316.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-7-phenacyl-8-sulfanylidene-9H-purine-2,6-dione
Also Known As: BAS 00491824, AB00684246-01, 3-methyl-7-phenacyl-8-sulfanylidene-9H-purine-2,6-dione, 8-mercapto-3-methyl-7-(2-oxo-2-phenylethyl)-1H-purine-2,6(3H,7H)-dione, 3-methyl-7-(2-oxo-2-phenylethyl)-8-sulfanyl-1,3,7-trihydropurine-2,6-dione
| Molecular Formula | C14H12N4O3S |
|---|---|
| Molecular Weight | 316.06 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 316.06302 |
| Heavy Atoms | 22 |
| Complexity | 595.0 |
Chemical Identifiers
| CAS Number | 331725-89-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=S)N2)CC(=O)C3=CC=CC=C3 |
| InChIKey | CMJTZINTNMPINW-UHFFFAOYSA-N |
Product Overview
3-Methyl-7-(2-oxo-2-phenylethyl)-8-sulfanyl-1,3,7-trihydropurine-2,6-dione (CAS 331725-89-4), with molecular formula C14H12N4O3S and molecular weight 316.06 g/mol. IUPAC: 3-methyl-7-phenacyl-8-sulfanylidene-9H-purine-2,6-dione.
Chemical Property Profile of 3-Methyl-7-(2-oxo-2-phenylethyl)-8-sulfanyl-1,3,7-trihydropurine-2,6-dione
Property Insights of 3-Methyl-7-(2-oxo-2-phenylethyl)-8-sulfanyl-1,3,7-trihydropurine-2,6-dione
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-7-(2-oxo-2-phenylethyl)-8-sulfanyl-1,3,7-trihydropurine-2,6-dione. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-7-(2-oxo-2-phenylethyl)-8-sulfanyl-1,3,7-trihydropurine-2,6-dione. Following Lipinski's Rule of Five, 3-Methyl-7-(2-oxo-2-phenylethyl)-8-sulfanyl-1,3,7-trihydropurine-2,6-dione has 2 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-(2-oxo-2-phenylethyl)-8-sulfanyl-1,3,7-trihydropurine-2,6-dione?
The CAS number of 3-Methyl-7-(2-oxo-2-phenylethyl)-8-sulfanyl-1,3,7-trihydropurine-2,6-dione is 331725-89-4.
What is the molecular formula of 3-Methyl-7-(2-oxo-2-phenylethyl)-8-sulfanyl-1,3,7-trihydropurine-2,6-dione?
The molecular formula of 3-Methyl-7-(2-oxo-2-phenylethyl)-8-sulfanyl-1,3,7-trihydropurine-2,6-dione is C14H12N4O3S.
What is the molecular weight of 3-Methyl-7-(2-oxo-2-phenylethyl)-8-sulfanyl-1,3,7-trihydropurine-2,6-dione?
The molecular weight of 3-Methyl-7-(2-oxo-2-phenylethyl)-8-sulfanyl-1,3,7-trihydropurine-2,6-dione is 316.06 g/mol.
Where can I buy 3-Methyl-7-(2-oxo-2-phenylethyl)-8-sulfanyl-1,3,7-trihydropurine-2,6-dione?
You can request a quote for 3-Methyl-7-(2-oxo-2-phenylethyl)-8-sulfanyl-1,3,7-trihydropurine-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-(2-oxo-2-phenylethyl)-8-sulfanyl-1,3,7-trihydropurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-7-(2-oxo-2-phenylethyl)-8-sulfanyl-1,3,7-trihydropurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.