Bis(trimethylsilyl)isovanillate
TL;DR: Bis(trimethylsilyl)isovanillate (CAS 68595-68-6) is a chemical compound with molecular formula C14H24O4Si2 and molecular weight 312.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethylsilyl 4-methoxy-3-trimethylsilyloxybenzoate
Also Known As: bis(trimethylsilyl)isovanillate, Isovanillic acid, 2TMS derivative, trimethylsilyl 4-methoxy-3-[(trimethylsilyl)oxy]benzoate, trimethylsilyl 4-methoxy-3-trimethylsilyloxybenzoate, Trimethylsilyl isovanillate, trimethylsilyl ether
| Molecular Formula | C14H24O4Si2 |
|---|---|
| Molecular Weight | 312.12 g/mol |
| LogP | 3.9006 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 312.1213 |
| Heavy Atoms | 20 |
| Complexity | 486.92776 |
Chemical Identifiers
| CAS Number | 68595-68-6 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)O[Si](C)(C)C)O[Si](C)(C)C |
Product Overview
Bis(trimethylsilyl)isovanillate (CAS 68595-68-6), with molecular formula C14H24O4Si2 and molecular weight 312.12 g/mol. IUPAC: trimethylsilyl 4-methoxy-3-trimethylsilyloxybenzoate.
Chemical Property Profile of Bis(trimethylsilyl)isovanillate
Property Insights of Bis(trimethylsilyl)isovanillate
The XLogP value of 3.9006 indicates that Bis(trimethylsilyl)isovanillate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.76 Ų, Bis(trimethylsilyl)isovanillate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis(trimethylsilyl)isovanillate 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 Bis(trimethylsilyl)isovanillate?
The CAS number of Bis(trimethylsilyl)isovanillate is 68595-68-6.
What is the molecular formula of Bis(trimethylsilyl)isovanillate?
The molecular formula of Bis(trimethylsilyl)isovanillate is C14H24O4Si2.
What is the molecular weight of Bis(trimethylsilyl)isovanillate?
The molecular weight of Bis(trimethylsilyl)isovanillate is 312.12 g/mol.
Where can I buy Bis(trimethylsilyl)isovanillate?
You can request a quote for Bis(trimethylsilyl)isovanillate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(trimethylsilyl)isovanillate?
Yes, KEHONG BIO provides custom synthesis services for Bis(trimethylsilyl)isovanillate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.