3-Chloroprop-2-enyl acetate
TL;DR: 3-Chloroprop-2-enyl acetate (CAS 13042-00-7) is a chemical compound with molecular formula C5H7ClO2 and molecular weight 134.01346 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-chloroprop-2-enyl acetate
Also Known As: 3-chloroprop-2-enyl acetate, 3-chloroprop-2-en-1-yl acetate, [(Z)-3-chloroprop-2-enyl] acetate
Application Areas
Top 5 of 16 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H7ClO2 |
| Molecular Weight | 134.01346 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 134.01346 Da |
| Heavy Atoms | 8 |
| Complexity | 98.0 |
| SMILES | CC(=O)OCC=CCl |
| InChIKey | MRDPKFXEUMUFQJ-UHFFFAOYSA-N |
Chemical Property Profile of 3-Chloroprop-2-enyl acetate
Property Insights of 3-Chloroprop-2-enyl acetate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloroprop-2-enyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Chloroprop-2-enyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloroprop-2-enyl acetate has 0 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 3-Chloroprop-2-enyl acetate?
The CAS number of 3-Chloroprop-2-enyl acetate is 13042-00-7.
What is the molecular formula of 3-Chloroprop-2-enyl acetate?
The molecular formula of 3-Chloroprop-2-enyl acetate is C5H7ClO2.
What is the molecular weight of 3-Chloroprop-2-enyl acetate?
The molecular weight of 3-Chloroprop-2-enyl acetate is 134.01346 g/mol.
Where can I buy 3-Chloroprop-2-enyl acetate?
You can request a quote for 3-Chloroprop-2-enyl acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Chloroprop-2-enyl acetate?
Yes, CoreyChem provides custom synthesis services for 3-Chloroprop-2-enyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.