7-(3-Hydroxypropyl)theophylline
TL;DR: 7-(3-Hydroxypropyl)theophylline (CAS 23146-04-5) is a chemical compound with molecular formula C10H14N4O3 and molecular weight 238.1066 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-(3-hydroxypropyl)-1,3-dimethylpurine-2,6-dione
Also Known As: gamma-OT, 7-(3-Hydroxypropyl)theophylline, .gamma.-OT, Theophylline, 7-(3-hydroxypropyl)-, 7-(gamma-Hydroxypropyl)theophylline
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H14N4O3 |
| Molecular Weight | 238.1066 g/mol |
| XLogP | -0.8 |
| Topological Polar Surface Area (TPSA) | 78.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 238.1066 Da |
| Heavy Atoms | 17 |
| Complexity | 336.0 |
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCO |
| InChIKey | QCGRMMZPZDAITA-UHFFFAOYSA-N |
Chemical Property Profile of 7-(3-Hydroxypropyl)theophylline
Property Insights of 7-(3-Hydroxypropyl)theophylline
The XLogP value of -0.8 indicates that 7-(3-Hydroxypropyl)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-(3-Hydroxypropyl)theophylline. Following Lipinski's Rule of Five, 7-(3-Hydroxypropyl)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-(3-Hydroxypropyl)theophylline?
The CAS number of 7-(3-Hydroxypropyl)theophylline is 23146-04-5.
What is the molecular formula of 7-(3-Hydroxypropyl)theophylline?
The molecular formula of 7-(3-Hydroxypropyl)theophylline is C10H14N4O3.
What is the molecular weight of 7-(3-Hydroxypropyl)theophylline?
The molecular weight of 7-(3-Hydroxypropyl)theophylline is 238.1066 g/mol.
Where can I buy 7-(3-Hydroxypropyl)theophylline?
You can request a quote for 7-(3-Hydroxypropyl)theophylline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7-(3-Hydroxypropyl)theophylline?
Yes, CoreyChem provides custom synthesis services for 7-(3-Hydroxypropyl)theophylline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.