tert-Butyldimethyl(4-nitrophenoxy)silane
TL;DR: tert-Butyldimethyl(4-nitrophenoxy)silane (CAS 117635-44-6) is a chemical compound with molecular formula C12H19NO3Si and molecular weight 253.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl-dimethyl-(4-nitrophenoxy)silane
Also Known As: tert-Butyldimethyl(4-nitrophenoxy)silane, 4-Nitrophenol, TBDMS derivative, 4-Nitrophenoxy tert-butyldimethylsilane, tert-butyl-dimethyl-(4-nitrophenoxy)silane, 1-Dimethyl(tert-butyl)silyloxy-4-nitrobenzene
| Molecular Formula | C12H19NO3Si |
|---|---|
| Molecular Weight | 253.11 g/mol |
| LogP | 3.9788 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 253.11342 |
| Heavy Atoms | 17 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 117635-44-6 |
|---|---|
| SMILES | CC(C)(C)[Si](C)(C)OC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | AQPYYGDGBSMJJI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
tert-Butyldimethyl(4-nitrophenoxy)silane (CAS 117635-44-6), with molecular formula C12H19NO3Si and molecular weight 253.11 g/mol. IUPAC: tert-butyl-dimethyl-(4-nitrophenoxy)silane.
Chemical Property Profile of tert-Butyldimethyl(4-nitrophenoxy)silane
Property Insights of tert-Butyldimethyl(4-nitrophenoxy)silane
The XLogP value of 3.9788 indicates that tert-Butyldimethyl(4-nitrophenoxy)silane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.1 Ų, tert-Butyldimethyl(4-nitrophenoxy)silane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyldimethyl(4-nitrophenoxy)silane 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 tert-Butyldimethyl(4-nitrophenoxy)silane?
The CAS number of tert-Butyldimethyl(4-nitrophenoxy)silane is 117635-44-6.
What is the molecular formula of tert-Butyldimethyl(4-nitrophenoxy)silane?
The molecular formula of tert-Butyldimethyl(4-nitrophenoxy)silane is C12H19NO3Si.
What is the molecular weight of tert-Butyldimethyl(4-nitrophenoxy)silane?
The molecular weight of tert-Butyldimethyl(4-nitrophenoxy)silane is 253.11 g/mol.
Where can I buy tert-Butyldimethyl(4-nitrophenoxy)silane?
You can request a quote for tert-Butyldimethyl(4-nitrophenoxy)silane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butyldimethyl(4-nitrophenoxy)silane?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyldimethyl(4-nitrophenoxy)silane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.