Theophylline, 7-(2-(aminooxy)ethyl)-, monohydrochloride
TL;DR: Theophylline, 7-(2-(aminooxy)ethyl)-, monohydrochloride (CAS 59663-16-0) is a chemical compound with molecular formula C9H14ClN5O3 and molecular weight 275.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(2-aminooxyethyl)-1,3-dimethylpurine-2,6-dione;hydrochloride
Also Known As: 7-beta-Aminooxyethyltheophylline hydrochloride, Theophylline, 7-(2-(aminooxy)ethyl)-, monohydrochloride, 1H-Purine-2,6-dione, 3,7-dihydro-7-(2-(aminooxy)ethyl)-1,3-dimethyl-, hydrochloride, 7-(2-aminooxyethyl)-1,3-dimethylpurine-2,6-dione hydrochloride, 7-(2-aminooxyethyl)-1,3-dimethylpurine-2,6-dione,hydrochloride
| Molecular Formula | C9H14ClN5O3 |
|---|---|
| Molecular Weight | 275.08 g/mol |
| LogP | -1.2542 |
| Topological Polar Surface Area | 97.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 275.07852 |
| Heavy Atoms | 18 |
| Complexity | 671.1185 |
Chemical Identifiers
| CAS Number | 59663-16-0 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCON.Cl |
Product Overview
Theophylline, 7-(2-(aminooxy)ethyl)-, monohydrochloride (CAS 59663-16-0), with molecular formula C9H14ClN5O3 and molecular weight 275.08 g/mol. IUPAC: 7-(2-aminooxyethyl)-1,3-dimethylpurine-2,6-dione;hydrochloride.
Chemical Property Profile of Theophylline, 7-(2-(aminooxy)ethyl)-, monohydrochloride
Property Insights of Theophylline, 7-(2-(aminooxy)ethyl)-, monohydrochloride
The XLogP value of -1.2542 indicates that Theophylline, 7-(2-(aminooxy)ethyl)-, monohydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 97.07 Ų falls within the moderate polarity range, balancing permeability and solubility for Theophylline, 7-(2-(aminooxy)ethyl)-, monohydrochloride. Following Lipinski's Rule of Five, Theophylline, 7-(2-(aminooxy)ethyl)-, monohydrochloride has 1 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, 7-(2-(aminooxy)ethyl)-, monohydrochloride?
The CAS number of Theophylline, 7-(2-(aminooxy)ethyl)-, monohydrochloride is 59663-16-0.
What is the molecular formula of Theophylline, 7-(2-(aminooxy)ethyl)-, monohydrochloride?
The molecular formula of Theophylline, 7-(2-(aminooxy)ethyl)-, monohydrochloride is C9H14ClN5O3.
What is the molecular weight of Theophylline, 7-(2-(aminooxy)ethyl)-, monohydrochloride?
The molecular weight of Theophylline, 7-(2-(aminooxy)ethyl)-, monohydrochloride is 275.08 g/mol.
Where can I buy Theophylline, 7-(2-(aminooxy)ethyl)-, monohydrochloride?
You can request a quote for Theophylline, 7-(2-(aminooxy)ethyl)-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Theophylline, 7-(2-(aminooxy)ethyl)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Theophylline, 7-(2-(aminooxy)ethyl)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.