1,1'-Ethane-1,2-diylbis(3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione)
TL;DR: 1,1'-Ethane-1,2-diylbis(3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione) (CAS 97980-46-6) is a chemical compound with molecular formula C16H18N8O4 and molecular weight 386.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(3,7-dimethyl-2,6-dioxopurin-1-yl)ethyl]-3,7-dimethylpurine-2,6-dione
Also Known As: Bisdionin B, 2iuz, B I Koffein, 1-(2-(THEOBROMINE-1-YL)ETHYL)-BROMINE, 1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE)
| Molecular Formula | C16H18N8O4 |
|---|---|
| Molecular Weight | 386.15 g/mol |
| LogP | -2.119 |
| Topological Polar Surface Area | 123.64 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 386.1451 |
| Heavy Atoms | 28 |
| Complexity | 1376.1086 |
Chemical Identifiers
| CAS Number | 97980-46-6 |
|---|---|
| SMILES | CN1C=NC2=C1C(=O)N(C(=O)N2C)CCN3C(=O)C4=C(N=CN4C)N(C3=O)C |
Product Overview
1,1'-Ethane-1,2-diylbis(3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione) (CAS 97980-46-6), with molecular formula C16H18N8O4 and molecular weight 386.15 g/mol. IUPAC: 1-[2-(3,7-dimethyl-2,6-dioxopurin-1-yl)ethyl]-3,7-dimethylpurine-2,6-dione.
Chemical Property Profile of 1,1'-Ethane-1,2-diylbis(3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione)
Property Insights of 1,1'-Ethane-1,2-diylbis(3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione)
The XLogP value of -2.119 indicates that 1,1'-Ethane-1,2-diylbis(3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 123.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1'-Ethane-1,2-diylbis(3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione). Following Lipinski's Rule of Five, 1,1'-Ethane-1,2-diylbis(3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione) has 0 hydrogen bond donor(s) and 6 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 1,1'-Ethane-1,2-diylbis(3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione)?
The CAS number of 1,1'-Ethane-1,2-diylbis(3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione) is 97980-46-6.
What is the molecular formula of 1,1'-Ethane-1,2-diylbis(3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione)?
The molecular formula of 1,1'-Ethane-1,2-diylbis(3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione) is C16H18N8O4.
What is the molecular weight of 1,1'-Ethane-1,2-diylbis(3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione)?
The molecular weight of 1,1'-Ethane-1,2-diylbis(3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione) is 386.15 g/mol.
Where can I buy 1,1'-Ethane-1,2-diylbis(3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione)?
You can request a quote for 1,1'-Ethane-1,2-diylbis(3,7-dimethyl-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 1,1'-Ethane-1,2-diylbis(3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione)?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-Ethane-1,2-diylbis(3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.