Chlorobutene
TL;DR: Chlorobutene (CAS 4461-42-1) is a chemical compound with molecular formula C4H7Cl and molecular weight 90.02363 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-chlorobut-1-ene
Also Known As: chlorobutene, Butene, chloro-, 1-chloro-1-buten, 1-CHLORO-1-BUTENE, 1-Butene, 1-chloro-
Application Areas
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H7Cl |
| Molecular Weight | 90.02363 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 90.02363 Da |
| Heavy Atoms | 5 |
| Complexity | 30.0 |
| SMILES | CCC=CCl |
| InChIKey | DUDKKPVINWLFBI-UHFFFAOYSA-N |
Chemical Property Profile of Chlorobutene
Property Insights of Chlorobutene
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chlorobutene. With a topological polar surface area (TPSA) of 0.0 Ų, Chlorobutene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chlorobutene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Chlorobutene?
The CAS number of Chlorobutene is 4461-42-1.
What is the molecular formula of Chlorobutene?
The molecular formula of Chlorobutene is C4H7Cl.
What is the molecular weight of Chlorobutene?
The molecular weight of Chlorobutene is 90.02363 g/mol.
Where can I buy Chlorobutene?
You can request a quote for Chlorobutene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Chlorobutene?
Yes, CoreyChem provides custom synthesis services for Chlorobutene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.