Ethyl 2-(chlorocarbonyl)-2-ethylbutanoate
TL;DR: Ethyl 2-(chlorocarbonyl)-2-ethylbutanoate (CAS 50547-85-8) is a chemical compound with molecular formula C9H15ClO3 and molecular weight 206.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-carbonochloridoyl-2-ethylbutanoate
Also Known As: NCIOpen2_005094, ethyl 2-(chlorocarbonyl)-2-ethylbutanoate, ethyl 2-carbonochloridoyl-2-ethyl-butanoate, ethyl 2-carbonochloridoyl-2-ethylbutanoate, ethyl2-carbonochloridoyl-2-ethyl-butanoate
| Molecular Formula | C9H15ClO3 |
|---|---|
| Molecular Weight | 206.07 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 206.07097 |
| Heavy Atoms | 13 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 50547-85-8 |
|---|---|
| SMILES | CCC(CC)(C(=O)OCC)C(=O)Cl |
| InChIKey | BTZMVIQHCCBGII-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(chlorocarbonyl)-2-ethylbutanoate (CAS 50547-85-8), with molecular formula C9H15ClO3 and molecular weight 206.07 g/mol. IUPAC: ethyl 2-carbonochloridoyl-2-ethylbutanoate.
Chemical Property Profile of Ethyl 2-(chlorocarbonyl)-2-ethylbutanoate
Property Insights of Ethyl 2-(chlorocarbonyl)-2-ethylbutanoate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(chlorocarbonyl)-2-ethylbutanoate. With a topological polar surface area (TPSA) of 43.4 Ų, Ethyl 2-(chlorocarbonyl)-2-ethylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-(chlorocarbonyl)-2-ethylbutanoate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 2-(chlorocarbonyl)-2-ethylbutanoate?
The CAS number of Ethyl 2-(chlorocarbonyl)-2-ethylbutanoate is 50547-85-8.
What is the molecular formula of Ethyl 2-(chlorocarbonyl)-2-ethylbutanoate?
The molecular formula of Ethyl 2-(chlorocarbonyl)-2-ethylbutanoate is C9H15ClO3.
What is the molecular weight of Ethyl 2-(chlorocarbonyl)-2-ethylbutanoate?
The molecular weight of Ethyl 2-(chlorocarbonyl)-2-ethylbutanoate is 206.07 g/mol.
Where can I buy Ethyl 2-(chlorocarbonyl)-2-ethylbutanoate?
You can request a quote for Ethyl 2-(chlorocarbonyl)-2-ethylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(chlorocarbonyl)-2-ethylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(chlorocarbonyl)-2-ethylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.