![4-Oxo-1-[(trimethylsilyl)oxy]cyclohexa-2,5-diene-1-carbonitrile structure](/static/products/4086/40861-57-2.webp)
4-Oxo-1-[(trimethylsilyl)oxy]cyclohexa-2,5-diene-1-carbonitrile
TL;DR: 4-Oxo-1-[(trimethylsilyl)oxy]cyclohexa-2,5-diene-1-carbonitrile (CAS 40861-57-2) is a chemical compound with molecular formula C10H13NO2Si and molecular weight 207.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-1-trimethylsilyloxycyclohexa-2,5-diene-1-carbonitrile
Also Known As: 4-cyano-4-trimethylsilyloxycyclohexa-2,5-dien-1-one, 4-oxo-1-trimethylsilyloxycyclohexa-2,5-diene-1-carbonitrile, 4-Oxo-1-[(trimethylsilyl)oxy]cyclohexa-2,5-diene-1-carbonitrile
| Molecular Formula | C10H13NO2Si |
|---|---|
| Molecular Weight | 207.07 g/mol |
| LogP | 1.79538 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 207.07155 |
| Heavy Atoms | 14 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 40861-57-2 |
|---|---|
| SMILES | C[Si](C)(C)OC1(C=CC(=O)C=C1)C#N |
| InChIKey | KNCXOSGBFRYFAB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Oxo-1-[(trimethylsilyl)oxy]cyclohexa-2,5-diene-1-carbonitrile (CAS 40861-57-2), with molecular formula C10H13NO2Si and molecular weight 207.07 g/mol. IUPAC: 4-oxo-1-trimethylsilyloxycyclohexa-2,5-diene-1-carbonitrile.
Chemical Property Profile of 4-Oxo-1-[(trimethylsilyl)oxy]cyclohexa-2,5-diene-1-carbonitrile
Property Insights of 4-Oxo-1-[(trimethylsilyl)oxy]cyclohexa-2,5-diene-1-carbonitrile
The XLogP value of 1.79538 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Oxo-1-[(trimethylsilyl)oxy]cyclohexa-2,5-diene-1-carbonitrile. With a topological polar surface area (TPSA) of 50.1 Ų, 4-Oxo-1-[(trimethylsilyl)oxy]cyclohexa-2,5-diene-1-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Oxo-1-[(trimethylsilyl)oxy]cyclohexa-2,5-diene-1-carbonitrile 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 4-Oxo-1-[(trimethylsilyl)oxy]cyclohexa-2,5-diene-1-carbonitrile?
The CAS number of 4-Oxo-1-[(trimethylsilyl)oxy]cyclohexa-2,5-diene-1-carbonitrile is 40861-57-2.
What is the molecular formula of 4-Oxo-1-[(trimethylsilyl)oxy]cyclohexa-2,5-diene-1-carbonitrile?
The molecular formula of 4-Oxo-1-[(trimethylsilyl)oxy]cyclohexa-2,5-diene-1-carbonitrile is C10H13NO2Si.
What is the molecular weight of 4-Oxo-1-[(trimethylsilyl)oxy]cyclohexa-2,5-diene-1-carbonitrile?
The molecular weight of 4-Oxo-1-[(trimethylsilyl)oxy]cyclohexa-2,5-diene-1-carbonitrile is 207.07 g/mol.
Where can I buy 4-Oxo-1-[(trimethylsilyl)oxy]cyclohexa-2,5-diene-1-carbonitrile?
You can request a quote for 4-Oxo-1-[(trimethylsilyl)oxy]cyclohexa-2,5-diene-1-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Oxo-1-[(trimethylsilyl)oxy]cyclohexa-2,5-diene-1-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Oxo-1-[(trimethylsilyl)oxy]cyclohexa-2,5-diene-1-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.