Ethyl trimethylsilyl phthalate
TL;DR: Ethyl trimethylsilyl phthalate (CAS 55530-57-9) is a chemical compound with molecular formula C13H18O4Si and molecular weight 266.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O-ethyl 2-O-trimethylsilyl benzene-1,2-dicarboxylate
Also Known As: Ethyl trimethylsilyl phthalate, Monoethyl phthalate, TMS derivative, 1-Ethyl 2-(trimethylsilyl) phthalate, 1-Ethyl 2-(trimethylsilyl) phthalate #, Phthalic acid 1-ethyl 2-trimethylsilyl ester
| Molecular Formula | C13H18O4Si |
|---|---|
| Molecular Weight | 266.10 g/mol |
| LogP | 2.855 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 266.09744 |
| Heavy Atoms | 18 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 55530-57-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC=CC=C1C(=O)O[Si](C)(C)C |
| InChIKey | MJPCVXUDAHYBPA-UHFFFAOYSA-N |
Product Overview
Ethyl trimethylsilyl phthalate (CAS 55530-57-9), with molecular formula C13H18O4Si and molecular weight 266.10 g/mol. IUPAC: 1-O-ethyl 2-O-trimethylsilyl benzene-1,2-dicarboxylate.
Chemical Property Profile of Ethyl trimethylsilyl phthalate
Property Insights of Ethyl trimethylsilyl phthalate
The XLogP value of 2.855 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl trimethylsilyl phthalate. With a topological polar surface area (TPSA) of 52.6 Ų, Ethyl trimethylsilyl phthalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl trimethylsilyl phthalate 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 phthalate?
The CAS number of Ethyl trimethylsilyl phthalate is 55530-57-9.
What is the molecular formula of Ethyl trimethylsilyl phthalate?
The molecular formula of Ethyl trimethylsilyl phthalate is C13H18O4Si.
What is the molecular weight of Ethyl trimethylsilyl phthalate?
The molecular weight of Ethyl trimethylsilyl phthalate is 266.10 g/mol.
Where can I buy Ethyl trimethylsilyl phthalate?
You can request a quote for Ethyl trimethylsilyl phthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl trimethylsilyl phthalate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl trimethylsilyl phthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.