![Bis(trimethylsilyl) 1-isothiocyanato-2-(4-[(trimethylsilyl)oxy]phenyl)ethylphosphonate structure](/static/products/5619/56196-77-1.webp)
Bis(trimethylsilyl) 1-isothiocyanato-2-(4-[(trimethylsilyl)oxy]phenyl)ethylphosphonate
TL;DR: Bis(trimethylsilyl) 1-isothiocyanato-2-(4-[(trimethylsilyl)oxy]phenyl)ethylphosphonate (CAS 56196-77-1) is a chemical compound with molecular formula C18H34NO4PSSi3 and molecular weight 475.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[2-bis(trimethylsilyloxy)phosphoryl-2-isothiocyanatoethyl]phenoxy]-trimethylsilane
Also Known As: Bis(trimethylsilyl) 1-isothiocyanato-2-(4-[(trimethylsilyl)oxy]phenyl)ethylphosphonate, Phosphonic acid, [1-isothiocyanato-2-[4-[(trimethylsilyl)oxy]phenyl]ethyl]-, bis(trimethylsilyl) ester, [4-[2-bis(trimethylsilyloxy)phosphoryl-2-isothiocyanatoethyl]phenoxy]-trimethylsilane, Bis(trimethylsilyl) 1-isothiocyanato-2-(4-[(trimethylsilyl)oxy]phenyl)ethylphosphonate #, ditrimethylsilyl (1-isothiocyanato-2-{4-[(trimethylsilyl)oxy]phenyl}ethyl)phosphonate
| Molecular Formula | C18H34NO4PSSi3 |
|---|---|
| Molecular Weight | 475.13 g/mol |
| LogP | 6.7678 |
| Topological Polar Surface Area | 89.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 475.1254 |
| Heavy Atoms | 28 |
| Complexity | 581.0 |
Chemical Identifiers
| CAS Number | 56196-77-1 |
|---|---|
| SMILES | C[Si](C)(C)OC1=CC=C(C=C1)CC(N=C=S)P(=O)(O[Si](C)(C)C)O[Si](C)(C)C |
| InChIKey | WNSODPGBQTYKCY-UHFFFAOYSA-N |
Product Overview
Bis(trimethylsilyl) 1-isothiocyanato-2-(4-[(trimethylsilyl)oxy]phenyl)ethylphosphonate (CAS 56196-77-1), with molecular formula C18H34NO4PSSi3 and molecular weight 475.13 g/mol. IUPAC: [4-[2-bis(trimethylsilyloxy)phosphoryl-2-isothiocyanatoethyl]phenoxy]-trimethylsilane.
Chemical Property Profile of Bis(trimethylsilyl) 1-isothiocyanato-2-(4-[(trimethylsilyl)oxy]phenyl)ethylphosphonate
Property Insights of Bis(trimethylsilyl) 1-isothiocyanato-2-(4-[(trimethylsilyl)oxy]phenyl)ethylphosphonate
The XLogP value of 6.7678 indicates that Bis(trimethylsilyl) 1-isothiocyanato-2-(4-[(trimethylsilyl)oxy]phenyl)ethylphosphonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Bis(trimethylsilyl) 1-isothiocyanato-2-(4-[(trimethylsilyl)oxy]phenyl)ethylphosphonate. Following Lipinski's Rule of Five, Bis(trimethylsilyl) 1-isothiocyanato-2-(4-[(trimethylsilyl)oxy]phenyl)ethylphosphonate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bis(trimethylsilyl) 1-isothiocyanato-2-(4-[(trimethylsilyl)oxy]phenyl)ethylphosphonate?
The CAS number of Bis(trimethylsilyl) 1-isothiocyanato-2-(4-[(trimethylsilyl)oxy]phenyl)ethylphosphonate is 56196-77-1.
What is the molecular formula of Bis(trimethylsilyl) 1-isothiocyanato-2-(4-[(trimethylsilyl)oxy]phenyl)ethylphosphonate?
The molecular formula of Bis(trimethylsilyl) 1-isothiocyanato-2-(4-[(trimethylsilyl)oxy]phenyl)ethylphosphonate is C18H34NO4PSSi3.
What is the molecular weight of Bis(trimethylsilyl) 1-isothiocyanato-2-(4-[(trimethylsilyl)oxy]phenyl)ethylphosphonate?
The molecular weight of Bis(trimethylsilyl) 1-isothiocyanato-2-(4-[(trimethylsilyl)oxy]phenyl)ethylphosphonate is 475.13 g/mol.
Where can I buy Bis(trimethylsilyl) 1-isothiocyanato-2-(4-[(trimethylsilyl)oxy]phenyl)ethylphosphonate?
You can request a quote for Bis(trimethylsilyl) 1-isothiocyanato-2-(4-[(trimethylsilyl)oxy]phenyl)ethylphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(trimethylsilyl) 1-isothiocyanato-2-(4-[(trimethylsilyl)oxy]phenyl)ethylphosphonate?
Yes, KEHONG BIO provides custom synthesis services for Bis(trimethylsilyl) 1-isothiocyanato-2-(4-[(trimethylsilyl)oxy]phenyl)ethylphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.