5-ethyl-5-(7H-purin-6-ylsulfanyl)-1,3-diazinane-2,4,6-trione
TL;DR: 5-ethyl-5-(7H-purin-6-ylsulfanyl)-1,3-diazinane-2,4,6-trione (CAS 10001-52-2) is a chemical compound with molecular formula C11H10N6O3S and molecular weight 306.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethyl-5-(7H-purin-6-ylsulfanyl)-1,3-diazinane-2,4,6-trione
Also Known As: 5-ethyl-5-(7H-purin-6-ylsulfanyl)-1,3-diazinane-2,4,6-trione, 2,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(1H-purin-6-ylthio)-, 5-Ethyl-5-[(7H-purin-6-yl)sulfanyl]-1,3-diazinane-2,4,6-trione, 1,3-dimethyl-5,6-dihydro-1H,8H-pyrido[2,3-d]pyrimidine-2,4,7-trione, 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(1H-purin-6-ylthio)-
| Molecular Formula | C11H10N6O3S |
|---|---|
| Molecular Weight | 306.05 g/mol |
| LogP | -0.0402 |
| Topological Polar Surface Area | 129.73 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 306.0535 |
| Heavy Atoms | 21 |
| Complexity | 737.25146 |
Chemical Identifiers
| CAS Number | 10001-52-2 |
|---|---|
| SMILES | CCC1(C(=O)NC(=O)NC1=O)SC2=NC=NC3=C2NC=N3 |
Product Overview
5-ethyl-5-(7H-purin-6-ylsulfanyl)-1,3-diazinane-2,4,6-trione (CAS 10001-52-2), with molecular formula C11H10N6O3S and molecular weight 306.05 g/mol. IUPAC: 5-ethyl-5-(7H-purin-6-ylsulfanyl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5-ethyl-5-(7H-purin-6-ylsulfanyl)-1,3-diazinane-2,4,6-trione
Property Insights of 5-ethyl-5-(7H-purin-6-ylsulfanyl)-1,3-diazinane-2,4,6-trione
The XLogP value of -0.0402 indicates that 5-ethyl-5-(7H-purin-6-ylsulfanyl)-1,3-diazinane-2,4,6-trione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 129.73 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-ethyl-5-(7H-purin-6-ylsulfanyl)-1,3-diazinane-2,4,6-trione. Following Lipinski's Rule of Five, 5-ethyl-5-(7H-purin-6-ylsulfanyl)-1,3-diazinane-2,4,6-trione has 3 hydrogen bond donor(s) and 7 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 5-ethyl-5-(7H-purin-6-ylsulfanyl)-1,3-diazinane-2,4,6-trione?
The CAS number of 5-ethyl-5-(7H-purin-6-ylsulfanyl)-1,3-diazinane-2,4,6-trione is 10001-52-2.
What is the molecular formula of 5-ethyl-5-(7H-purin-6-ylsulfanyl)-1,3-diazinane-2,4,6-trione?
The molecular formula of 5-ethyl-5-(7H-purin-6-ylsulfanyl)-1,3-diazinane-2,4,6-trione is C11H10N6O3S.
What is the molecular weight of 5-ethyl-5-(7H-purin-6-ylsulfanyl)-1,3-diazinane-2,4,6-trione?
The molecular weight of 5-ethyl-5-(7H-purin-6-ylsulfanyl)-1,3-diazinane-2,4,6-trione is 306.05 g/mol.
Where can I buy 5-ethyl-5-(7H-purin-6-ylsulfanyl)-1,3-diazinane-2,4,6-trione?
You can request a quote for 5-ethyl-5-(7H-purin-6-ylsulfanyl)-1,3-diazinane-2,4,6-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-ethyl-5-(7H-purin-6-ylsulfanyl)-1,3-diazinane-2,4,6-trione?
Yes, KEHONG BIO provides custom synthesis services for 5-ethyl-5-(7H-purin-6-ylsulfanyl)-1,3-diazinane-2,4,6-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.