Ethyl 2-chloropropionate
TL;DR: Ethyl 2-chloropropionate (CAS 535-13-7) is a chemical compound with molecular formula C5H9ClO2 and molecular weight 136.02911 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-chloropropanoate
Also Known As: Ethyl 2-chloropropionate, Ethyl 2-chloropropanoate, 2-Chloropropionic Acid Ethyl Ester, Ethyl-2-chloropropionate, ethyl chloropropionate
Application Areas
Top 5 of 16 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H9ClO2 |
| Molecular Weight | 136.02911 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 136.02911 Da |
| Heavy Atoms | 8 |
| Complexity | 82.0 |
| SMILES | CCOC(=O)C(C)Cl |
| InChIKey | JEAVBVKAYUCPAQ-UHFFFAOYSA-N |
Product Description
Applications: Ethyl 2-chloropropionate is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Ethyl 2-chloropropionate (CAS 535-13-7) is a heterocyclic building block with the molecular formula C5H9ClO2 and a molecular weight of 136.03 g/mol. Synonyms include Ethyl 2-chloropropionate and Ethyl 2-chloropropanoate.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Ethyl 2-chloropropionate
Property Insights of Ethyl 2-chloropropionate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-chloropropionate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 2-chloropropionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-chloropropionate 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 Ethyl 2-chloropropionate?
The CAS number of Ethyl 2-chloropropionate is 535-13-7.
What is the molecular formula of Ethyl 2-chloropropionate?
The molecular formula of Ethyl 2-chloropropionate is C5H9ClO2.
What is the molecular weight of Ethyl 2-chloropropionate?
The molecular weight of Ethyl 2-chloropropionate is 136.02911 g/mol.
What are the applications of Ethyl 2-chloropropionate?
Ethyl 2-chloropropionate is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item...
Where can I buy Ethyl 2-chloropropionate?
You can request a quote for Ethyl 2-chloropropionate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 2-chloropropionate?
Yes, CoreyChem provides custom synthesis services for Ethyl 2-chloropropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.