8-Aminotheophylline
TL;DR: 8-Aminotheophylline (CAS 19410-53-8) is a chemical compound with molecular formula C7H9N5O2 and molecular weight 195.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-amino-1,3-dimethyl-7H-purine-2,6-dione
Also Known As: 8-Aminotheophylline, 8-Aminoteofiliny, Theophylline, 8-amino-, 8-Aminotheophyline, 8-Aminoteofiliny [Polish]
| Molecular Formula | C7H9N5O2 |
|---|---|
| Molecular Weight | 195.08 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 95.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 195.07562 |
| Heavy Atoms | 14 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 19410-53-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N |
| InChIKey | ZZESAIGPDOBLKZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
8-Aminotheophylline (CAS 19410-53-8), with molecular formula C7H9N5O2 and molecular weight 195.08 g/mol. IUPAC: 8-amino-1,3-dimethyl-7H-purine-2,6-dione.
Chemical Property Profile of 8-Aminotheophylline
Property Insights of 8-Aminotheophylline
The XLogP value of -0.4 indicates that 8-Aminotheophylline is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 95.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Aminotheophylline. Following Lipinski's Rule of Five, 8-Aminotheophylline 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-Aminotheophylline?
The CAS number of 8-Aminotheophylline is 19410-53-8.
What is the molecular formula of 8-Aminotheophylline?
The molecular formula of 8-Aminotheophylline is C7H9N5O2.
What is the molecular weight of 8-Aminotheophylline?
The molecular weight of 8-Aminotheophylline is 195.08 g/mol.
Where can I buy 8-Aminotheophylline?
You can request a quote for 8-Aminotheophylline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Aminotheophylline?
Yes, KEHONG BIO provides custom synthesis services for 8-Aminotheophylline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.