3-(Dichlorophenylsilyl)propiononitrile
TL;DR: 3-(Dichlorophenylsilyl)propiononitrile (CAS 1077-57-2) is a chemical compound with molecular formula C9H9Cl2NSi and molecular weight 228.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[dichloro(phenyl)silyl]propanenitrile
Also Known As: 3-(Dichlorophenylsilyl)propiononitrile, 3-[dichloro(phenyl)silyl]propanenitrile, Propanenitrile,3-(dichlorophenylsilyl)-, 3-(Dichlorophenylsilyl)propanenitrile, EINECS 214-074-9
| Molecular Formula | C9H9Cl2NSi |
|---|---|
| Molecular Weight | 228.99 g/mol |
| LogP | 2.73 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 228.98813 |
| Heavy Atoms | 13 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 1077-57-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)[Si](CCC#N)(Cl)Cl |
| InChIKey | NVPJPRQHVOYMHE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Dichlorophenylsilyl)propiononitrile (CAS 1077-57-2), with molecular formula C9H9Cl2NSi and molecular weight 228.99 g/mol. IUPAC: 3-[dichloro(phenyl)silyl]propanenitrile.
Chemical Property Profile of 3-(Dichlorophenylsilyl)propiononitrile
Property Insights of 3-(Dichlorophenylsilyl)propiononitrile
The XLogP value of 2.73 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Dichlorophenylsilyl)propiononitrile. With a topological polar surface area (TPSA) of 23.8 Ų, 3-(Dichlorophenylsilyl)propiononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Dichlorophenylsilyl)propiononitrile 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 3-(Dichlorophenylsilyl)propiononitrile?
The CAS number of 3-(Dichlorophenylsilyl)propiononitrile is 1077-57-2.
What is the molecular formula of 3-(Dichlorophenylsilyl)propiononitrile?
The molecular formula of 3-(Dichlorophenylsilyl)propiononitrile is C9H9Cl2NSi.
What is the molecular weight of 3-(Dichlorophenylsilyl)propiononitrile?
The molecular weight of 3-(Dichlorophenylsilyl)propiononitrile is 228.99 g/mol.
Where can I buy 3-(Dichlorophenylsilyl)propiononitrile?
You can request a quote for 3-(Dichlorophenylsilyl)propiononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Dichlorophenylsilyl)propiononitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(Dichlorophenylsilyl)propiononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.