Ethyl trimethylsilyl malonate
TL;DR: Ethyl trimethylsilyl malonate (CAS 18457-03-9) is a chemical compound with molecular formula C8H16O4Si and molecular weight 204.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O-ethyl 3-O-trimethylsilyl propanedioate
Also Known As: Ethyl trimethylsilyl malonate, 1-O-ethyl 3-O-trimethylsilyl propanedioate, Ethyl (trimethylsilyl) malonate, mono-Ethyl malonate, TMS derivative, Ethyl trimethylsilyl propanedioate
| Molecular Formula | C8H16O4Si |
|---|---|
| Molecular Weight | 204.08 g/mol |
| LogP | 1.32 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 204.08179 |
| Heavy Atoms | 13 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 18457-03-9 |
|---|---|
| SMILES | CCOC(=O)CC(=O)O[Si](C)(C)C |
| InChIKey | PVXMKQLVICGFSI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl trimethylsilyl malonate (CAS 18457-03-9), with molecular formula C8H16O4Si and molecular weight 204.08 g/mol. IUPAC: 1-O-ethyl 3-O-trimethylsilyl propanedioate.
Chemical Property Profile of Ethyl trimethylsilyl malonate
Property Insights of Ethyl trimethylsilyl malonate
The XLogP value of 1.32 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl trimethylsilyl malonate. With a topological polar surface area (TPSA) of 52.6 Ų, Ethyl trimethylsilyl malonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl trimethylsilyl malonate has 0 hydrogen bond donor(s) and 4 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 Ethyl trimethylsilyl malonate?
The CAS number of Ethyl trimethylsilyl malonate is 18457-03-9.
What is the molecular formula of Ethyl trimethylsilyl malonate?
The molecular formula of Ethyl trimethylsilyl malonate is C8H16O4Si.
What is the molecular weight of Ethyl trimethylsilyl malonate?
The molecular weight of Ethyl trimethylsilyl malonate is 204.08 g/mol.
Where can I buy Ethyl trimethylsilyl malonate?
You can request a quote for Ethyl trimethylsilyl malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl trimethylsilyl malonate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl trimethylsilyl malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.