8-((2-hydroxyethyl)thio)-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-((2-hydroxyethyl)thio)-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione (CAS 331839-94-2) is a chemical compound with molecular formula C16H18N4O3S and molecular weight 346.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(2-hydroxyethylsulfanyl)-3-methyl-7-(2-phenylethyl)purine-2,6-dione
Also Known As: AB00667674-01, 8-((2-hydroxyethyl)thio)-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione, F0373-0935, 8-[(2-hydroxyethyl)sulfanyl]-3-methyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione, 8-[(2-hydroxyethyl)sulfanyl]-3-methyl-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C16H18N4O3S |
|---|---|
| Molecular Weight | 346.11 g/mol |
| LogP | 0.7504 |
| Topological Polar Surface Area | 92.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 346.10995 |
| Heavy Atoms | 24 |
| Complexity | 959.0983 |
Chemical Identifiers
| CAS Number | 331839-94-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCO)CCC3=CC=CC=C3 |
Product Overview
8-((2-hydroxyethyl)thio)-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione (CAS 331839-94-2), with molecular formula C16H18N4O3S and molecular weight 346.11 g/mol. IUPAC: 8-(2-hydroxyethylsulfanyl)-3-methyl-7-(2-phenylethyl)purine-2,6-dione.
Chemical Property Profile of 8-((2-hydroxyethyl)thio)-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-((2-hydroxyethyl)thio)-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 0.7504 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-((2-hydroxyethyl)thio)-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 92.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-((2-hydroxyethyl)thio)-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-((2-hydroxyethyl)thio)-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione has 2 hydrogen bond donor(s) and 5 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 8-((2-hydroxyethyl)thio)-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-((2-hydroxyethyl)thio)-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione is 331839-94-2.
What is the molecular formula of 8-((2-hydroxyethyl)thio)-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-((2-hydroxyethyl)thio)-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione is C16H18N4O3S.
What is the molecular weight of 8-((2-hydroxyethyl)thio)-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-((2-hydroxyethyl)thio)-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione is 346.11 g/mol.
Where can I buy 8-((2-hydroxyethyl)thio)-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-((2-hydroxyethyl)thio)-3-methyl-7-phenethyl-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 8-((2-hydroxyethyl)thio)-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-((2-hydroxyethyl)thio)-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.