alpha-Trimethylsilyloxy-3,4-methylenedioxyphenylacetonitrile
TL;DR: alpha-Trimethylsilyloxy-3,4-methylenedioxyphenylacetonitrile (CAS 177952-77-1) is a chemical compound with molecular formula C12H15NO3Si and molecular weight 249.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-yl)-2-trimethylsilyloxyacetonitrile
Also Known As: J2.744.989A, 2-(3,4-methylenedioxyphenyl)-2-(trimethylsilyloxy)acetonitrile, alpha-(Trimethylsiloxy)-1,3-benzodioxole-5-acetonitrile, 2-(1,3-benzodioxol-5-yl)-2-trimethylsilyloxyacetonitrile, 2-benzo[1,3]dioxol-5-yl-2-trimethylsilyloxy-acetonitrile
| Molecular Formula | C12H15NO3Si |
|---|---|
| Molecular Weight | 249.08 g/mol |
| LogP | 2.83148 |
| Topological Polar Surface Area | 51.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.08212 |
| Heavy Atoms | 17 |
| Complexity | 461.79904 |
Chemical Identifiers
| CAS Number | 177952-77-1 |
|---|---|
| SMILES | C[Si](C)(C)OC(C#N)C1=CC2=C(C=C1)OCO2 |
Product Overview
alpha-Trimethylsilyloxy-3,4-methylenedioxyphenylacetonitrile (CAS 177952-77-1), with molecular formula C12H15NO3Si and molecular weight 249.08 g/mol. IUPAC: 2-(1,3-benzodioxol-5-yl)-2-trimethylsilyloxyacetonitrile.
Chemical Property Profile of alpha-Trimethylsilyloxy-3,4-methylenedioxyphenylacetonitrile
Property Insights of alpha-Trimethylsilyloxy-3,4-methylenedioxyphenylacetonitrile
The XLogP value of 2.83148 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-Trimethylsilyloxy-3,4-methylenedioxyphenylacetonitrile. With a topological polar surface area (TPSA) of 51.48 Ų, alpha-Trimethylsilyloxy-3,4-methylenedioxyphenylacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-Trimethylsilyloxy-3,4-methylenedioxyphenylacetonitrile 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 alpha-Trimethylsilyloxy-3,4-methylenedioxyphenylacetonitrile?
The CAS number of alpha-Trimethylsilyloxy-3,4-methylenedioxyphenylacetonitrile is 177952-77-1.
What is the molecular formula of alpha-Trimethylsilyloxy-3,4-methylenedioxyphenylacetonitrile?
The molecular formula of alpha-Trimethylsilyloxy-3,4-methylenedioxyphenylacetonitrile is C12H15NO3Si.
What is the molecular weight of alpha-Trimethylsilyloxy-3,4-methylenedioxyphenylacetonitrile?
The molecular weight of alpha-Trimethylsilyloxy-3,4-methylenedioxyphenylacetonitrile is 249.08 g/mol.
Where can I buy alpha-Trimethylsilyloxy-3,4-methylenedioxyphenylacetonitrile?
You can request a quote for alpha-Trimethylsilyloxy-3,4-methylenedioxyphenylacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Trimethylsilyloxy-3,4-methylenedioxyphenylacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for alpha-Trimethylsilyloxy-3,4-methylenedioxyphenylacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.