1,3-dimethyl-7-(2-oxo-2-phenylethyl)-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 1,3-dimethyl-7-(2-oxo-2-phenylethyl)-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione (CAS 57445-15-5) is a chemical compound with molecular formula C15H14N4O3S and molecular weight 330.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-7-phenacyl-8-sulfanylidene-9H-purine-2,6-dione
Also Known As: BAS 06503077, 1,3-dimethyl-7-phenacyl-8-sulfanylidene-9H-purine-2,6-dione, 1,3-dimethyl-7-(2-oxo-2-phenylethyl)-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione, 8-Mercapto-1,3-dimethyl-7-(2-oxo-2-phenyl-ethyl)-3,7-dihydro-purine-2,6-dione, 8-mercapto-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C15H14N4O3S |
|---|---|
| Molecular Weight | 330.08 g/mol |
| LogP | 0.97919 |
| Topological Polar Surface Area | 81.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 330.07867 |
| Heavy Atoms | 23 |
| Complexity | 1086.0831 |
Chemical Identifiers
| CAS Number | 57445-15-5 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=S)N2)CC(=O)C3=CC=CC=C3 |
Product Overview
1,3-dimethyl-7-(2-oxo-2-phenylethyl)-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione (CAS 57445-15-5), with molecular formula C15H14N4O3S and molecular weight 330.08 g/mol. IUPAC: 1,3-dimethyl-7-phenacyl-8-sulfanylidene-9H-purine-2,6-dione.
Chemical Property Profile of 1,3-dimethyl-7-(2-oxo-2-phenylethyl)-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 1,3-dimethyl-7-(2-oxo-2-phenylethyl)-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 0.97919 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-dimethyl-7-(2-oxo-2-phenylethyl)-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 81.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-dimethyl-7-(2-oxo-2-phenylethyl)-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 1,3-dimethyl-7-(2-oxo-2-phenylethyl)-8-sulfanyl-3,7-dihydro-1H-purine-2,6-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 1,3-dimethyl-7-(2-oxo-2-phenylethyl)-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 1,3-dimethyl-7-(2-oxo-2-phenylethyl)-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione is 57445-15-5.
What is the molecular formula of 1,3-dimethyl-7-(2-oxo-2-phenylethyl)-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 1,3-dimethyl-7-(2-oxo-2-phenylethyl)-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione is C15H14N4O3S.
What is the molecular weight of 1,3-dimethyl-7-(2-oxo-2-phenylethyl)-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 1,3-dimethyl-7-(2-oxo-2-phenylethyl)-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione is 330.08 g/mol.
Where can I buy 1,3-dimethyl-7-(2-oxo-2-phenylethyl)-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 1,3-dimethyl-7-(2-oxo-2-phenylethyl)-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 1,3-dimethyl-7-(2-oxo-2-phenylethyl)-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,3-dimethyl-7-(2-oxo-2-phenylethyl)-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.