Benzoic Acid, 2,3,6-trichloro-, (1-cyanoethyl)dimethylsilyl Ester
TL;DR: Benzoic Acid, 2,3,6-trichloro-, (1-cyanoethyl)dimethylsilyl Ester (CAS 1171-92-2) is a chemical compound with molecular formula C12H12Cl3NO2Si and molecular weight 334.97028 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[1-cyanoethyl(dimethyl)silyl] 2,3,6-trichlorobenzoate
Also Known As: KST-1A0770, (1-cyanoethyl)(dimethyl)silyl 2,3,6-trichlorobenzoate, Benzoic Acid, 2,3,6-trichloro-, (1-cyanoethyl)dimethylsilyl Ester, (1-Cyanoethyl)di(methyl)silyl 2,3,6-trichlorobenzoate, [1-cyanoethyl(dimethyl)silyl] 2,3,6-trichlorobenzoate
Technical Specifications
| Molecular Formula | C12H12Cl3NO2Si |
| Molecular Weight | 334.97028 g/mol |
| XLogP | 4.92238 |
| Topological Polar Surface Area (TPSA) | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 334.97028 Da |
| Heavy Atoms | 19 |
| Complexity | 396.0 |
| SMILES | CC(C#N)[Si](C)(C)OC(=O)C1=C(C=CC(=C1Cl)Cl)Cl |
| InChIKey | DAJRGQYLHGSKEQ-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic Acid, 2,3,6-trichloro-, (1-cyanoethyl)dimethylsilyl Ester
Property Insights of Benzoic Acid, 2,3,6-trichloro-, (1-cyanoethyl)dimethylsilyl Ester
The XLogP value of 4.92238 indicates that Benzoic Acid, 2,3,6-trichloro-, (1-cyanoethyl)dimethylsilyl Ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.1 Ų, Benzoic Acid, 2,3,6-trichloro-, (1-cyanoethyl)dimethylsilyl Ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic Acid, 2,3,6-trichloro-, (1-cyanoethyl)dimethylsilyl Ester 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
What is the CAS number of Benzoic Acid, 2,3,6-trichloro-, (1-cyanoethyl)dimethylsilyl Ester?
The CAS number of Benzoic Acid, 2,3,6-trichloro-, (1-cyanoethyl)dimethylsilyl Ester is 1171-92-2.
What is the molecular formula of Benzoic Acid, 2,3,6-trichloro-, (1-cyanoethyl)dimethylsilyl Ester?
The molecular formula of Benzoic Acid, 2,3,6-trichloro-, (1-cyanoethyl)dimethylsilyl Ester is C12H12Cl3NO2Si.
What is the molecular weight of Benzoic Acid, 2,3,6-trichloro-, (1-cyanoethyl)dimethylsilyl Ester?
The molecular weight of Benzoic Acid, 2,3,6-trichloro-, (1-cyanoethyl)dimethylsilyl Ester is 334.97028 g/mol.
Where can I buy Benzoic Acid, 2,3,6-trichloro-, (1-cyanoethyl)dimethylsilyl Ester?
You can request a quote for Benzoic Acid, 2,3,6-trichloro-, (1-cyanoethyl)dimethylsilyl Ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic Acid, 2,3,6-trichloro-, (1-cyanoethyl)dimethylsilyl Ester?
Yes, CoreyChem provides custom synthesis services for Benzoic Acid, 2,3,6-trichloro-, (1-cyanoethyl)dimethylsilyl Ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.