Ethyl 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoate
TL;DR: Ethyl 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoate (CAS 42287-85-4) is a chemical compound with molecular formula C9H6F12O2 and molecular weight 374.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoate
Also Known As: Ethyl 7H-perfluoroheptanoate, Ethyl 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoate, ethyl 7h-dodecafluoroheptanoate, J3.004.479G, 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoic acid ethyl ester
| Molecular Formula | C9H6F12O2 |
|---|---|
| Molecular Weight | 374.02 g/mol |
| LogP | 3.9911 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 374.0176 |
| Heavy Atoms | 23 |
| Complexity | 443.81232 |
Chemical Identifiers
| CAS Number | 42287-85-4 |
|---|---|
| SMILES | CCOC(=O)C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F |
Product Overview
Ethyl 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoate (CAS 42287-85-4), with molecular formula C9H6F12O2 and molecular weight 374.02 g/mol. IUPAC: ethyl 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoate.
Chemical Property Profile of Ethyl 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoate
Property Insights of Ethyl 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoate
The XLogP value of 3.9911 indicates that Ethyl 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoate 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 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoate?
The CAS number of Ethyl 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoate is 42287-85-4.
What is the molecular formula of Ethyl 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoate?
The molecular formula of Ethyl 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoate is C9H6F12O2.
What is the molecular weight of Ethyl 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoate?
The molecular weight of Ethyl 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoate is 374.02 g/mol.
Where can I buy Ethyl 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoate?
You can request a quote for Ethyl 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.