Theophylline, 8-((2-aminoethyl)amino)-
TL;DR: Theophylline, 8-((2-aminoethyl)amino)- (CAS 14251-32-2) is a chemical compound with molecular formula C9H14N6O2 and molecular weight 238.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(2-aminoethylamino)-1,3-dimethyl-7H-purine-2,6-dione
Also Known As: Theophylline ethylene-diamine, Theophylline, 8-((2-aminoethyl)amino)-, 8-((2-Aminoethyl)amino)theophylline, Theophylline ethylene-diamine [French], 1H-Purine-2,6-dione, 8-((2-aminoethyl)amino)-3,7-dihydro-1,3-dimethyl-
| Molecular Formula | C9H14N6O2 |
|---|---|
| Molecular Weight | 238.12 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 238.11783 |
| Heavy Atoms | 17 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 14251-32-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC(=N2)NCCN |
| InChIKey | RUILVTDZEFWNPQ-UHFFFAOYSA-N |
Product Overview
Theophylline, 8-((2-aminoethyl)amino)- (CAS 14251-32-2), with molecular formula C9H14N6O2 and molecular weight 238.12 g/mol. IUPAC: 8-(2-aminoethylamino)-1,3-dimethyl-7H-purine-2,6-dione.
Chemical Property Profile of Theophylline, 8-((2-aminoethyl)amino)-
Property Insights of Theophylline, 8-((2-aminoethyl)amino)-
The XLogP value of -0.6 indicates that Theophylline, 8-((2-aminoethyl)amino)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Theophylline, 8-((2-aminoethyl)amino)-. Following Lipinski's Rule of Five, Theophylline, 8-((2-aminoethyl)amino)- has 3 hydrogen bond donor(s) and 5 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 Theophylline, 8-((2-aminoethyl)amino)-?
The CAS number of Theophylline, 8-((2-aminoethyl)amino)- is 14251-32-2.
What is the molecular formula of Theophylline, 8-((2-aminoethyl)amino)-?
The molecular formula of Theophylline, 8-((2-aminoethyl)amino)- is C9H14N6O2.
What is the molecular weight of Theophylline, 8-((2-aminoethyl)amino)-?
The molecular weight of Theophylline, 8-((2-aminoethyl)amino)- is 238.12 g/mol.
Where can I buy Theophylline, 8-((2-aminoethyl)amino)-?
You can request a quote for Theophylline, 8-((2-aminoethyl)amino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Theophylline, 8-((2-aminoethyl)amino)-?
Yes, KEHONG BIO provides custom synthesis services for Theophylline, 8-((2-aminoethyl)amino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.