1,3-dimethyl-8-((3-phenylpropyl)thio)-6-thioxo-1,3,6,9-tetrahydro-2H-purin-2-one
TL;DR: 1,3-dimethyl-8-((3-phenylpropyl)thio)-6-thioxo-1,3,6,9-tetrahydro-2H-purin-2-one (CAS 6493-02-3) is a chemical compound with molecular formula C16H18N4OS2 and molecular weight 346.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-8-(3-phenylpropylsulfanyl)-6-sulfanylidene-7H-purin-2-one
Also Known As: NCIStruc1_001297, NCIStruc2_001000, NCI60_042238, J2.911.257F, 1,3-Dimethyl-8-[(3-phenylpropyl)thio]-6-thioxo-1,6-dihydro-7H-purine-2(3H)-one
| Molecular Formula | C16H18N4OS2 |
|---|---|
| Molecular Weight | 346.09 g/mol |
| LogP | 3.05449 |
| Topological Polar Surface Area | 55.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 346.0922 |
| Heavy Atoms | 23 |
| Complexity | 940.354 |
Chemical Identifiers
| CAS Number | 6493-02-3 |
|---|---|
| SMILES | CN1C2=C(C(=S)N(C1=O)C)NC(=N2)SCCCC3=CC=CC=C3 |
Product Overview
1,3-dimethyl-8-((3-phenylpropyl)thio)-6-thioxo-1,3,6,9-tetrahydro-2H-purin-2-one (CAS 6493-02-3), with molecular formula C16H18N4OS2 and molecular weight 346.09 g/mol. IUPAC: 1,3-dimethyl-8-(3-phenylpropylsulfanyl)-6-sulfanylidene-7H-purin-2-one.
Chemical Property Profile of 1,3-dimethyl-8-((3-phenylpropyl)thio)-6-thioxo-1,3,6,9-tetrahydro-2H-purin-2-one
Property Insights of 1,3-dimethyl-8-((3-phenylpropyl)thio)-6-thioxo-1,3,6,9-tetrahydro-2H-purin-2-one
The XLogP value of 3.05449 indicates that 1,3-dimethyl-8-((3-phenylpropyl)thio)-6-thioxo-1,3,6,9-tetrahydro-2H-purin-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.61 Ų, 1,3-dimethyl-8-((3-phenylpropyl)thio)-6-thioxo-1,3,6,9-tetrahydro-2H-purin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-dimethyl-8-((3-phenylpropyl)thio)-6-thioxo-1,3,6,9-tetrahydro-2H-purin-2-one 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-8-((3-phenylpropyl)thio)-6-thioxo-1,3,6,9-tetrahydro-2H-purin-2-one?
The CAS number of 1,3-dimethyl-8-((3-phenylpropyl)thio)-6-thioxo-1,3,6,9-tetrahydro-2H-purin-2-one is 6493-02-3.
What is the molecular formula of 1,3-dimethyl-8-((3-phenylpropyl)thio)-6-thioxo-1,3,6,9-tetrahydro-2H-purin-2-one?
The molecular formula of 1,3-dimethyl-8-((3-phenylpropyl)thio)-6-thioxo-1,3,6,9-tetrahydro-2H-purin-2-one is C16H18N4OS2.
What is the molecular weight of 1,3-dimethyl-8-((3-phenylpropyl)thio)-6-thioxo-1,3,6,9-tetrahydro-2H-purin-2-one?
The molecular weight of 1,3-dimethyl-8-((3-phenylpropyl)thio)-6-thioxo-1,3,6,9-tetrahydro-2H-purin-2-one is 346.09 g/mol.
Where can I buy 1,3-dimethyl-8-((3-phenylpropyl)thio)-6-thioxo-1,3,6,9-tetrahydro-2H-purin-2-one?
You can request a quote for 1,3-dimethyl-8-((3-phenylpropyl)thio)-6-thioxo-1,3,6,9-tetrahydro-2H-purin-2-one 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-8-((3-phenylpropyl)thio)-6-thioxo-1,3,6,9-tetrahydro-2H-purin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1,3-dimethyl-8-((3-phenylpropyl)thio)-6-thioxo-1,3,6,9-tetrahydro-2H-purin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.