7-Hydroxymethyl theophylline
TL;DR: 7-Hydroxymethyl theophylline (CAS 31542-43-5) is a chemical compound with molecular formula C8H10N4O3 and molecular weight 210.07529 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-(hydroxymethyl)-1,3-dimethylpurine-2,6-dione
Also Known As: 7-hydroxymethyl theophylline, 7-(Hydroxymethyl)theophyline, 7-(hydroxymethyl)-1,3-dimethylpurine-2,6-dione, 7-(hydroxymethyl)-1,3-dimethyl-purine-2,6-dione, 1H-Purine-2,6-dione, 3,7-dihydro-7-(hydroxymethyl)-1,3-dimethyl-
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H10N4O3 |
| Molecular Weight | 210.07529 g/mol |
| XLogP | -1.1 |
| Topological Polar Surface Area (TPSA) | 78.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 210.07529 Da |
| Heavy Atoms | 15 |
| Complexity | 308.0 |
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CO |
| InChIKey | QAPJAMJGLYYNHX-UHFFFAOYSA-N |
Chemical Property Profile of 7-Hydroxymethyl theophylline
Property Insights of 7-Hydroxymethyl theophylline
The XLogP value of -1.1 indicates that 7-Hydroxymethyl theophylline is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 78.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Hydroxymethyl theophylline. Following Lipinski's Rule of Five, 7-Hydroxymethyl theophylline has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 7-Hydroxymethyl theophylline?
The CAS number of 7-Hydroxymethyl theophylline is 31542-43-5.
What is the molecular formula of 7-Hydroxymethyl theophylline?
The molecular formula of 7-Hydroxymethyl theophylline is C8H10N4O3.
What is the molecular weight of 7-Hydroxymethyl theophylline?
The molecular weight of 7-Hydroxymethyl theophylline is 210.07529 g/mol.
Where can I buy 7-Hydroxymethyl theophylline?
You can request a quote for 7-Hydroxymethyl theophylline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7-Hydroxymethyl theophylline?
Yes, CoreyChem provides custom synthesis services for 7-Hydroxymethyl theophylline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.