4-Cyano-1-Dimethyl(tert-butyl)silyloxybenzene
TL;DR: 4-Cyano-1-Dimethyl(tert-butyl)silyloxybenzene (CAS 117635-43-5) is a chemical compound with molecular formula C13H19NOSi and molecular weight 233.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[tert-butyl(dimethyl)silyl]oxybenzonitrile
Also Known As: 4-Cyanophenol, TBDMS derivative, 4-[(tert-butyldimethylsilyl)oxy]benzonitrile, 4-Cyano-1-Dimethyl(tert-butyl)silyloxybenzene, 4-(tert-Butyldimethylsiloxy)benzonitrile, p-(tert-Butyldimethylsilyloxy)benzonitrile
| Molecular Formula | C13H19NOSi |
|---|---|
| Molecular Weight | 233.12 g/mol |
| LogP | 3.94228 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.1236 |
| Heavy Atoms | 16 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 117635-43-5 |
|---|---|
| SMILES | CC(C)(C)[Si](C)(C)OC1=CC=C(C=C1)C#N |
| InChIKey | FFJFJEYUUBQRSB-UHFFFAOYSA-N |
Product Overview
4-Cyano-1-Dimethyl(tert-butyl)silyloxybenzene (CAS 117635-43-5), with molecular formula C13H19NOSi and molecular weight 233.12 g/mol. IUPAC: 4-[tert-butyl(dimethyl)silyl]oxybenzonitrile.
Chemical Property Profile of 4-Cyano-1-Dimethyl(tert-butyl)silyloxybenzene
Property Insights of 4-Cyano-1-Dimethyl(tert-butyl)silyloxybenzene
The XLogP value of 3.94228 indicates that 4-Cyano-1-Dimethyl(tert-butyl)silyloxybenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.0 Ų, 4-Cyano-1-Dimethyl(tert-butyl)silyloxybenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Cyano-1-Dimethyl(tert-butyl)silyloxybenzene has 0 hydrogen bond donor(s) and 2 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 4-Cyano-1-Dimethyl(tert-butyl)silyloxybenzene?
The CAS number of 4-Cyano-1-Dimethyl(tert-butyl)silyloxybenzene is 117635-43-5.
What is the molecular formula of 4-Cyano-1-Dimethyl(tert-butyl)silyloxybenzene?
The molecular formula of 4-Cyano-1-Dimethyl(tert-butyl)silyloxybenzene is C13H19NOSi.
What is the molecular weight of 4-Cyano-1-Dimethyl(tert-butyl)silyloxybenzene?
The molecular weight of 4-Cyano-1-Dimethyl(tert-butyl)silyloxybenzene is 233.12 g/mol.
Where can I buy 4-Cyano-1-Dimethyl(tert-butyl)silyloxybenzene?
You can request a quote for 4-Cyano-1-Dimethyl(tert-butyl)silyloxybenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Cyano-1-Dimethyl(tert-butyl)silyloxybenzene?
Yes, KEHONG BIO provides custom synthesis services for 4-Cyano-1-Dimethyl(tert-butyl)silyloxybenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.