Theophylline TMS derivative
TL;DR: Theophylline TMS derivative (CAS 62374-32-7) is a chemical compound with molecular formula C10H16N4O2Si and molecular weight 252.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-7-trimethylsilylpurine-2,6-dione
Also Known As: Theophylline, TMS, Theophylline TMS derivative, Theophylline, TMS derivative, 1,3-dimethyl-7-trimethylsilylpurine-2,6-dione, 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(trimethylsilyl)-
| Molecular Formula | C10H16N4O2Si |
|---|---|
| Molecular Weight | 252.10 g/mol |
| LogP | 0.1167 |
| Topological Polar Surface Area | 58.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 252.10425 |
| Heavy Atoms | 17 |
| Complexity | 368.0 |
Chemical Identifiers
| CAS Number | 62374-32-7 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)[Si](C)(C)C |
| InChIKey | KPBTTYFAGBODJB-UHFFFAOYSA-N |
Product Overview
Theophylline TMS derivative (CAS 62374-32-7), with molecular formula C10H16N4O2Si and molecular weight 252.10 g/mol. IUPAC: 1,3-dimethyl-7-trimethylsilylpurine-2,6-dione.
Chemical Property Profile of Theophylline TMS derivative
Property Insights of Theophylline TMS derivative
The XLogP value of 0.1167 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Theophylline TMS derivative. With a topological polar surface area (TPSA) of 58.4 Ų, Theophylline TMS derivative exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Theophylline TMS derivative has 0 hydrogen bond donor(s) and 3 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 Theophylline TMS derivative?
The CAS number of Theophylline TMS derivative is 62374-32-7.
What is the molecular formula of Theophylline TMS derivative?
The molecular formula of Theophylline TMS derivative is C10H16N4O2Si.
What is the molecular weight of Theophylline TMS derivative?
The molecular weight of Theophylline TMS derivative is 252.10 g/mol.
Where can I buy Theophylline TMS derivative?
You can request a quote for Theophylline TMS derivative directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Theophylline TMS derivative?
Yes, KEHONG BIO provides custom synthesis services for Theophylline TMS derivative and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.