8-(2-aminoethyl)-1,3-dimethyl-2,3,6,9-tetrahydro-1H-purine-2,6-dione
TL;DR: 8-(2-aminoethyl)-1,3-dimethyl-2,3,6,9-tetrahydro-1H-purine-2,6-dione (CAS 75680-88-5) is a chemical compound with molecular formula C9H13N5O2 and molecular weight 223.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(2-aminoethyl)-1,3-dimethyl-7H-purine-2,6-dione
Also Known As: 8-beta-aminoethyltheophylline, 8-(2-aminoethyl)-1,3-dimethyl-7H-purine-2,6-dione, 8-(2-aminoethyl)-1,3-dimethyl-2,3,6,9-tetrahydro-1H-purine-2,6-dione, 1H-Purine-2,6-dione, 8-(2-aminoethyl)-3,7-dihydro-1,3-dimethyl-, 8-(2-Aminoethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C9H13N5O2 |
|---|---|
| Molecular Weight | 223.11 g/mol |
| LogP | -1.5385 |
| Topological Polar Surface Area | 98.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 223.10692 |
| Heavy Atoms | 16 |
| Complexity | 648.1887 |
Chemical Identifiers
| CAS Number | 75680-88-5 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CCN |
Product Overview
8-(2-aminoethyl)-1,3-dimethyl-2,3,6,9-tetrahydro-1H-purine-2,6-dione (CAS 75680-88-5), with molecular formula C9H13N5O2 and molecular weight 223.11 g/mol. IUPAC: 8-(2-aminoethyl)-1,3-dimethyl-7H-purine-2,6-dione.
Chemical Property Profile of 8-(2-aminoethyl)-1,3-dimethyl-2,3,6,9-tetrahydro-1H-purine-2,6-dione
Property Insights of 8-(2-aminoethyl)-1,3-dimethyl-2,3,6,9-tetrahydro-1H-purine-2,6-dione
The XLogP value of -1.5385 indicates that 8-(2-aminoethyl)-1,3-dimethyl-2,3,6,9-tetrahydro-1H-purine-2,6-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 98.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(2-aminoethyl)-1,3-dimethyl-2,3,6,9-tetrahydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-(2-aminoethyl)-1,3-dimethyl-2,3,6,9-tetrahydro-1H-purine-2,6-dione has 2 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 8-(2-aminoethyl)-1,3-dimethyl-2,3,6,9-tetrahydro-1H-purine-2,6-dione?
The CAS number of 8-(2-aminoethyl)-1,3-dimethyl-2,3,6,9-tetrahydro-1H-purine-2,6-dione is 75680-88-5.
What is the molecular formula of 8-(2-aminoethyl)-1,3-dimethyl-2,3,6,9-tetrahydro-1H-purine-2,6-dione?
The molecular formula of 8-(2-aminoethyl)-1,3-dimethyl-2,3,6,9-tetrahydro-1H-purine-2,6-dione is C9H13N5O2.
What is the molecular weight of 8-(2-aminoethyl)-1,3-dimethyl-2,3,6,9-tetrahydro-1H-purine-2,6-dione?
The molecular weight of 8-(2-aminoethyl)-1,3-dimethyl-2,3,6,9-tetrahydro-1H-purine-2,6-dione is 223.11 g/mol.
Where can I buy 8-(2-aminoethyl)-1,3-dimethyl-2,3,6,9-tetrahydro-1H-purine-2,6-dione?
You can request a quote for 8-(2-aminoethyl)-1,3-dimethyl-2,3,6,9-tetrahydro-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 8-(2-aminoethyl)-1,3-dimethyl-2,3,6,9-tetrahydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(2-aminoethyl)-1,3-dimethyl-2,3,6,9-tetrahydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.