1,3-Dimethyl-3,9-dihydro-1H-purine-2,6-dione--2-aminoethan-1-ol (1/2)
TL;DR: 1,3-Dimethyl-3,9-dihydro-1H-purine-2,6-dione--2-aminoethan-1-ol (1/2) (CAS 5967-82-8) is a chemical compound with molecular formula C11H22N6O4 and molecular weight 302.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-aminoethanol);1,3-dimethyl-7H-purine-2,6-dione
Also Known As: Adisne, Theophylline, compd. with 2-aminoethanol (1:2), 2-aminoethanol; 1,3-dimethyl-7H-purine-2,6-dione, Ethanol, 2-amino-, compd. with theophylline (2:1), 1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione- 2-aminoethanol(1:2)
| Molecular Formula | C11H22N6O4 |
|---|---|
| Molecular Weight | 302.17 g/mol |
| LogP | -3.16 |
| Topological Polar Surface Area | 162.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 302.17026 |
| Heavy Atoms | 21 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 5967-82-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC=N2.C(CO)N.C(CO)N |
| InChIKey | WVVNRCBCHVYSDW-UHFFFAOYSA-N |
Product Overview
1,3-Dimethyl-3,9-dihydro-1H-purine-2,6-dione--2-aminoethan-1-ol (1/2) (CAS 5967-82-8), with molecular formula C11H22N6O4 and molecular weight 302.17 g/mol. IUPAC: bis(2-aminoethanol);1,3-dimethyl-7H-purine-2,6-dione.
Chemical Property Profile of 1,3-Dimethyl-3,9-dihydro-1H-purine-2,6-dione--2-aminoethan-1-ol (1/2)
Property Insights of 1,3-Dimethyl-3,9-dihydro-1H-purine-2,6-dione--2-aminoethan-1-ol (1/2)
The XLogP value of -3.16 indicates that 1,3-Dimethyl-3,9-dihydro-1H-purine-2,6-dione--2-aminoethan-1-ol (1/2) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 162.0 Ų indicates high polarity, suggesting 1,3-Dimethyl-3,9-dihydro-1H-purine-2,6-dione--2-aminoethan-1-ol (1/2) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,3-Dimethyl-3,9-dihydro-1H-purine-2,6-dione--2-aminoethan-1-ol (1/2) has 5 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 1,3-Dimethyl-3,9-dihydro-1H-purine-2,6-dione--2-aminoethan-1-ol (1/2)?
The CAS number of 1,3-Dimethyl-3,9-dihydro-1H-purine-2,6-dione--2-aminoethan-1-ol (1/2) is 5967-82-8.
What is the molecular formula of 1,3-Dimethyl-3,9-dihydro-1H-purine-2,6-dione--2-aminoethan-1-ol (1/2)?
The molecular formula of 1,3-Dimethyl-3,9-dihydro-1H-purine-2,6-dione--2-aminoethan-1-ol (1/2) is C11H22N6O4.
What is the molecular weight of 1,3-Dimethyl-3,9-dihydro-1H-purine-2,6-dione--2-aminoethan-1-ol (1/2)?
The molecular weight of 1,3-Dimethyl-3,9-dihydro-1H-purine-2,6-dione--2-aminoethan-1-ol (1/2) is 302.17 g/mol.
Where can I buy 1,3-Dimethyl-3,9-dihydro-1H-purine-2,6-dione--2-aminoethan-1-ol (1/2)?
You can request a quote for 1,3-Dimethyl-3,9-dihydro-1H-purine-2,6-dione--2-aminoethan-1-ol (1/2) 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-3,9-dihydro-1H-purine-2,6-dione--2-aminoethan-1-ol (1/2)?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethyl-3,9-dihydro-1H-purine-2,6-dione--2-aminoethan-1-ol (1/2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.