7-(1,3-Thiazolidin-2-ylmethyl)theophylline
TL;DR: 7-(1,3-Thiazolidin-2-ylmethyl)theophylline (CAS 103818-31-1) is a chemical compound with molecular formula C11H15N5O2S and molecular weight 281.09464 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-dimethyl-7-(1,3-thiazolidin-2-ylmethyl)purine-2,6-dione
Also Known As: 7-TMT, 7-(1,3-Thiazolidin-2-ylmethyl)theophylline, 7-[(Thiazolidin-2-yl)methyl]theophyline, 2,6-Dichloro-4-(dibenzylamino)benzaldehyde, trimethyl(1,2,4-triazol-1-ylmethyl)silane
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H15N5O2S |
| Molecular Weight | 281.09464 g/mol |
| XLogP | -0.4 |
| Topological Polar Surface Area (TPSA) | 95.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 281.09464 Da |
| Heavy Atoms | 19 |
| Complexity | 407.0 |
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3NCCS3 |
| InChIKey | SYXXIOHDIHFIDC-UHFFFAOYSA-N |
Chemical Property Profile of 7-(1,3-Thiazolidin-2-ylmethyl)theophylline
Property Insights of 7-(1,3-Thiazolidin-2-ylmethyl)theophylline
The XLogP value of -0.4 indicates that 7-(1,3-Thiazolidin-2-ylmethyl)theophylline is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 95.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(1,3-Thiazolidin-2-ylmethyl)theophylline. Following Lipinski's Rule of Five, 7-(1,3-Thiazolidin-2-ylmethyl)theophylline 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
What is the CAS number of 7-(1,3-Thiazolidin-2-ylmethyl)theophylline?
The CAS number of 7-(1,3-Thiazolidin-2-ylmethyl)theophylline is 103818-31-1.
What is the molecular formula of 7-(1,3-Thiazolidin-2-ylmethyl)theophylline?
The molecular formula of 7-(1,3-Thiazolidin-2-ylmethyl)theophylline is C11H15N5O2S.
What is the molecular weight of 7-(1,3-Thiazolidin-2-ylmethyl)theophylline?
The molecular weight of 7-(1,3-Thiazolidin-2-ylmethyl)theophylline is 281.09464 g/mol.
Where can I buy 7-(1,3-Thiazolidin-2-ylmethyl)theophylline?
You can request a quote for 7-(1,3-Thiazolidin-2-ylmethyl)theophylline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7-(1,3-Thiazolidin-2-ylmethyl)theophylline?
Yes, CoreyChem provides custom synthesis services for 7-(1,3-Thiazolidin-2-ylmethyl)theophylline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.