Ethyl 4-chloro-2,2,3,3,4,4-hexafluorobutanoate
TL;DR: Ethyl 4-chloro-2,2,3,3,4,4-hexafluorobutanoate (CAS 6395-45-5) is a chemical compound with molecular formula C6H5ClF6O2 and molecular weight 257.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-chloro-2,2,3,3,4,4-hexafluorobutanoate
Also Known As: ethyl 4-chloro-2,2,3,3,4,4-hexafluorobutanoate, Ethyl 4-chloro-2,2,3,3,4,4-hexafluoro-butanoate
| Molecular Formula | C6H5ClF6O2 |
|---|---|
| Molecular Weight | 257.99 g/mol |
| LogP | 2.6517 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 257.98822 |
| Heavy Atoms | 15 |
| Complexity | 248.4969 |
Chemical Identifiers
| CAS Number | 6395-45-5 |
|---|---|
| SMILES | CCOC(=O)C(C(C(F)(F)Cl)(F)F)(F)F |
Product Overview
Ethyl 4-chloro-2,2,3,3,4,4-hexafluorobutanoate (CAS 6395-45-5), with molecular formula C6H5ClF6O2 and molecular weight 257.99 g/mol. IUPAC: ethyl 4-chloro-2,2,3,3,4,4-hexafluorobutanoate.
Chemical Property Profile of Ethyl 4-chloro-2,2,3,3,4,4-hexafluorobutanoate
Property Insights of Ethyl 4-chloro-2,2,3,3,4,4-hexafluorobutanoate
The XLogP value of 2.6517 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-chloro-2,2,3,3,4,4-hexafluorobutanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 4-chloro-2,2,3,3,4,4-hexafluorobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-chloro-2,2,3,3,4,4-hexafluorobutanoate 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
Frequently Asked Questions
What is the CAS number of Ethyl 4-chloro-2,2,3,3,4,4-hexafluorobutanoate?
The CAS number of Ethyl 4-chloro-2,2,3,3,4,4-hexafluorobutanoate is 6395-45-5.
What is the molecular formula of Ethyl 4-chloro-2,2,3,3,4,4-hexafluorobutanoate?
The molecular formula of Ethyl 4-chloro-2,2,3,3,4,4-hexafluorobutanoate is C6H5ClF6O2.
What is the molecular weight of Ethyl 4-chloro-2,2,3,3,4,4-hexafluorobutanoate?
The molecular weight of Ethyl 4-chloro-2,2,3,3,4,4-hexafluorobutanoate is 257.99 g/mol.
Where can I buy Ethyl 4-chloro-2,2,3,3,4,4-hexafluorobutanoate?
You can request a quote for Ethyl 4-chloro-2,2,3,3,4,4-hexafluorobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-chloro-2,2,3,3,4,4-hexafluorobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-chloro-2,2,3,3,4,4-hexafluorobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.