Theobromine TMS derivative
TL;DR: Theobromine TMS derivative (CAS 88145-86-2) 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.
3,7-dimethyl-1-trimethylsilylpurine-2,6-dione
Also Known As: Theobromine TMS derivative, Theobromine, TMS derivative, 3,7-dimethyl-1-trimethylsilylpurine-2,6-dione, 3,7-Dimethyl-1-(trimethylsilyl)-3,7-dihydro-1H-purine-2,6-dione, 1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-1-(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 | 88145-86-2 |
|---|---|
| SMILES | CN1C=NC2=C1C(=O)N(C(=O)N2C)[Si](C)(C)C |
| InChIKey | DKNMLAFYPQOUED-UHFFFAOYSA-N |
Product Overview
Theobromine TMS derivative (CAS 88145-86-2), with molecular formula C10H16N4O2Si and molecular weight 252.10 g/mol. IUPAC: 3,7-dimethyl-1-trimethylsilylpurine-2,6-dione.
Chemical Property Profile of Theobromine TMS derivative
Property Insights of Theobromine TMS derivative
The XLogP value of 0.1167 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Theobromine TMS derivative. With a topological polar surface area (TPSA) of 58.4 Ų, Theobromine TMS derivative exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Theobromine 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 Theobromine TMS derivative?
The CAS number of Theobromine TMS derivative is 88145-86-2.
What is the molecular formula of Theobromine TMS derivative?
The molecular formula of Theobromine TMS derivative is C10H16N4O2Si.
What is the molecular weight of Theobromine TMS derivative?
The molecular weight of Theobromine TMS derivative is 252.10 g/mol.
Where can I buy Theobromine TMS derivative?
You can request a quote for Theobromine TMS derivative directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Theobromine TMS derivative?
Yes, KEHONG BIO provides custom synthesis services for Theobromine TMS derivative and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.