7-Acetyltheophylline
TL;DR: 7-Acetyltheophylline (CAS 3056-19-7) is a chemical compound with molecular formula C9H10N4O3 and molecular weight 222.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-acetyl-1,3-dimethylpurine-2,6-dione
Also Known As: 7-acetyltheophylline, 7-Acetyl-theophylline, 7-Acetyltheophyline, Theophylline, 7-acetyl-, 7-acetyl-1,3-dimethylpurine-2,6-dione
| Molecular Formula | C9H10N4O3 |
|---|---|
| Molecular Weight | 222.08 g/mol |
| LogP | -0.9062 |
| Topological Polar Surface Area | 78.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 222.07529 |
| Heavy Atoms | 16 |
| Complexity | 703.838 |
Chemical Identifiers
| CAS Number | 3056-19-7 |
|---|---|
| SMILES | CC(=O)N1C=NC2=C1C(=O)N(C(=O)N2C)C |
Product Overview
7-Acetyltheophylline (CAS 3056-19-7), with molecular formula C9H10N4O3 and molecular weight 222.08 g/mol. IUPAC: 7-acetyl-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 7-Acetyltheophylline
Property Insights of 7-Acetyltheophylline
The XLogP value of -0.9062 indicates that 7-Acetyltheophylline is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 78.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Acetyltheophylline. Following Lipinski's Rule of Five, 7-Acetyltheophylline has 0 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 7-Acetyltheophylline?
The CAS number of 7-Acetyltheophylline is 3056-19-7.
What is the molecular formula of 7-Acetyltheophylline?
The molecular formula of 7-Acetyltheophylline is C9H10N4O3.
What is the molecular weight of 7-Acetyltheophylline?
The molecular weight of 7-Acetyltheophylline is 222.08 g/mol.
Where can I buy 7-Acetyltheophylline?
You can request a quote for 7-Acetyltheophylline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Acetyltheophylline?
Yes, KEHONG BIO provides custom synthesis services for 7-Acetyltheophylline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.