4-(Dichloromethylsilyl)-butyronitrile
TL;DR: 4-(Dichloromethylsilyl)-butyronitrile (CAS 1190-16-5) is a chemical compound with molecular formula C5H9Cl2NSi and molecular weight 180.98813 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[dichloro(methyl)silyl]butanenitrile
Also Known As: Chlorosilane, 3-cyanopropylmethyldichlorosilane, (3-Cyanopropyl)methyldichlorosilane, cyanopropylmethyldichlorosilane, 4-(Dichloromethylsilyl)-butyronitrile
Application Areas
Top 5 of 13 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H9Cl2NSi |
| Molecular Weight | 180.98813 g/mol |
| XLogP | 2.84 |
| Topological Polar Surface Area (TPSA) | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 180.98813 Da |
| Heavy Atoms | 9 |
| Complexity | 126.0 |
| SMILES | C[Si](CCCC#N)(Cl)Cl |
| InChIKey | UIFBMBZYGZSWQE-UHFFFAOYSA-N |
Chemical Property Profile of 4-(Dichloromethylsilyl)-butyronitrile
Property Insights of 4-(Dichloromethylsilyl)-butyronitrile
The XLogP value of 2.84 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Dichloromethylsilyl)-butyronitrile. With a topological polar surface area (TPSA) of 23.8 Ų, 4-(Dichloromethylsilyl)-butyronitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Dichloromethylsilyl)-butyronitrile has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-(Dichloromethylsilyl)-butyronitrile?
The CAS number of 4-(Dichloromethylsilyl)-butyronitrile is 1190-16-5.
What is the molecular formula of 4-(Dichloromethylsilyl)-butyronitrile?
The molecular formula of 4-(Dichloromethylsilyl)-butyronitrile is C5H9Cl2NSi.
What is the molecular weight of 4-(Dichloromethylsilyl)-butyronitrile?
The molecular weight of 4-(Dichloromethylsilyl)-butyronitrile is 180.98813 g/mol.
Where can I buy 4-(Dichloromethylsilyl)-butyronitrile?
You can request a quote for 4-(Dichloromethylsilyl)-butyronitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(Dichloromethylsilyl)-butyronitrile?
Yes, CoreyChem provides custom synthesis services for 4-(Dichloromethylsilyl)-butyronitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.