Butanenitrile, 4-chloro-3-hydroxy-
TL;DR: Butanenitrile, 4-chloro-3-hydroxy- (CAS 105-33-9) is a chemical compound with molecular formula C4H6ClNO and molecular weight 119.013794 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chloro-3-hydroxybutanenitrile
Also Known As: 4-chloro-3-hydroxybutanenitrile, 4-Chloro-3-hydroxybutyronitrile, 4-Chloro-3-hydroxy butyronitrile, (S)-4-Chloro-3-hydroxybutyronitrile, Butanenitrile, 4-chloro-3-hydroxy-
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H6ClNO |
| Molecular Weight | 119.013794 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 44.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 119.013794 Da |
| Heavy Atoms | 7 |
| Complexity | 84.0 |
| SMILES | C(C#N)C(CCl)O |
| InChIKey | LHBPNZDUNCZWFL-UHFFFAOYSA-N |
Chemical Property Profile of Butanenitrile, 4-chloro-3-hydroxy-
Property Insights of Butanenitrile, 4-chloro-3-hydroxy-
The XLogP value of -0.1 indicates that Butanenitrile, 4-chloro-3-hydroxy- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 44.0 Ų, Butanenitrile, 4-chloro-3-hydroxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanenitrile, 4-chloro-3-hydroxy- has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Butanenitrile, 4-chloro-3-hydroxy-?
The CAS number of Butanenitrile, 4-chloro-3-hydroxy- is 105-33-9.
What is the molecular formula of Butanenitrile, 4-chloro-3-hydroxy-?
The molecular formula of Butanenitrile, 4-chloro-3-hydroxy- is C4H6ClNO.
What is the molecular weight of Butanenitrile, 4-chloro-3-hydroxy-?
The molecular weight of Butanenitrile, 4-chloro-3-hydroxy- is 119.013794 g/mol.
Where can I buy Butanenitrile, 4-chloro-3-hydroxy-?
You can request a quote for Butanenitrile, 4-chloro-3-hydroxy- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Butanenitrile, 4-chloro-3-hydroxy-?
Yes, CoreyChem provides custom synthesis services for Butanenitrile, 4-chloro-3-hydroxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.