Butanenitrile, 4-(dichlorophenylsilyl)-
TL;DR: Butanenitrile, 4-(dichlorophenylsilyl)- (CAS 1078-96-2) is a chemical compound with molecular formula C10H11Cl2NSi and molecular weight 243.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[dichloro(phenyl)silyl]butanenitrile
Also Known As: 4-[dichloro(phenyl)silyl]butanenitrile, Phenyl(3-cyanopropyl)dichlorosilane, 3-CYANOPROPYLPHENYLDICHLOROSILANE, Butanenitrile, 4-(dichlorophenylsilyl)-, 4-(Dichlorophenylsilyl)butanenitrile
| Molecular Formula | C10H11Cl2NSi |
|---|---|
| Molecular Weight | 243.00 g/mol |
| LogP | 3.12 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 243.00378 |
| Heavy Atoms | 14 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 1078-96-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)[Si](CCCC#N)(Cl)Cl |
| InChIKey | NNDVJVQRHQFKNA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butanenitrile, 4-(dichlorophenylsilyl)- (CAS 1078-96-2), with molecular formula C10H11Cl2NSi and molecular weight 243.00 g/mol. IUPAC: 4-[dichloro(phenyl)silyl]butanenitrile.
Chemical Property Profile of Butanenitrile, 4-(dichlorophenylsilyl)-
Property Insights of Butanenitrile, 4-(dichlorophenylsilyl)-
The XLogP value of 3.12 indicates that Butanenitrile, 4-(dichlorophenylsilyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, Butanenitrile, 4-(dichlorophenylsilyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanenitrile, 4-(dichlorophenylsilyl)- 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
Frequently Asked Questions
What is the CAS number of Butanenitrile, 4-(dichlorophenylsilyl)-?
The CAS number of Butanenitrile, 4-(dichlorophenylsilyl)- is 1078-96-2.
What is the molecular formula of Butanenitrile, 4-(dichlorophenylsilyl)-?
The molecular formula of Butanenitrile, 4-(dichlorophenylsilyl)- is C10H11Cl2NSi.
What is the molecular weight of Butanenitrile, 4-(dichlorophenylsilyl)-?
The molecular weight of Butanenitrile, 4-(dichlorophenylsilyl)- is 243.00 g/mol.
Where can I buy Butanenitrile, 4-(dichlorophenylsilyl)-?
You can request a quote for Butanenitrile, 4-(dichlorophenylsilyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanenitrile, 4-(dichlorophenylsilyl)-?
Yes, KEHONG BIO provides custom synthesis services for Butanenitrile, 4-(dichlorophenylsilyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.