2-Chloroethyl 2-ethylbutanoate
TL;DR: 2-Chloroethyl 2-ethylbutanoate (CAS 106315-37-1) is a chemical compound with molecular formula C8H15ClO2 and molecular weight 178.07605 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloroethyl 2-ethylbutanoate
Also Known As: 2-chloroethyl 2-ethylbutanoate, Butanoic acid,2-ethyl-, 2-chloroethyl ester
Technical Specifications
| Molecular Formula | C8H15ClO2 |
| Molecular Weight | 178.07605 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 178.07605 Da |
| Heavy Atoms | 11 |
| Complexity | 111.0 |
| SMILES | CCC(CC)C(=O)OCCCl |
| InChIKey | WXKXCGZWOGICGW-UHFFFAOYSA-N |
Chemical Property Profile of 2-Chloroethyl 2-ethylbutanoate
Property Insights of 2-Chloroethyl 2-ethylbutanoate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloroethyl 2-ethylbutanoate. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Chloroethyl 2-ethylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloroethyl 2-ethylbutanoate 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 2-Chloroethyl 2-ethylbutanoate?
The CAS number of 2-Chloroethyl 2-ethylbutanoate is 106315-37-1.
What is the molecular formula of 2-Chloroethyl 2-ethylbutanoate?
The molecular formula of 2-Chloroethyl 2-ethylbutanoate is C8H15ClO2.
What is the molecular weight of 2-Chloroethyl 2-ethylbutanoate?
The molecular weight of 2-Chloroethyl 2-ethylbutanoate is 178.07605 g/mol.
Where can I buy 2-Chloroethyl 2-ethylbutanoate?
You can request a quote for 2-Chloroethyl 2-ethylbutanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Chloroethyl 2-ethylbutanoate?
Yes, CoreyChem provides custom synthesis services for 2-Chloroethyl 2-ethylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.