Ethyl 1,1,7-trihydroperfluoroheptyl succinate
TL;DR: Ethyl 1,1,7-trihydroperfluoroheptyl succinate (CAS 18770-67-7) is a chemical compound with molecular formula C13H12F12O4 and molecular weight 460.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-O-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl) 1-O-ethyl butanedioate
Also Known As: Ethyl 1,1,7-trihydroperfluoroheptyl succinate, 4-O-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl) 1-O-ethyl butanedioate, Succinic acid 1-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl)4-ethyl ester, Succinic acid, 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl ethyl ester, 1-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl) 4-ethyl butanedioate
| Molecular Formula | C13H12F12O4 |
|---|---|
| Molecular Weight | 460.05 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 13 |
| Exact Mass | 460.05438 |
| Heavy Atoms | 29 |
| Complexity | 590.0 |
Chemical Identifiers
| CAS Number | 18770-67-7 |
|---|---|
| SMILES | CCOC(=O)CCC(=O)OCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F |
| InChIKey | HPQWMQHQOLGLON-UHFFFAOYSA-N |
Product Overview
Ethyl 1,1,7-trihydroperfluoroheptyl succinate (CAS 18770-67-7), with molecular formula C13H12F12O4 and molecular weight 460.05 g/mol. IUPAC: 4-O-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl) 1-O-ethyl butanedioate.
Chemical Property Profile of Ethyl 1,1,7-trihydroperfluoroheptyl succinate
Property Insights of Ethyl 1,1,7-trihydroperfluoroheptyl succinate
The XLogP value of 4.4 indicates that Ethyl 1,1,7-trihydroperfluoroheptyl succinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Ethyl 1,1,7-trihydroperfluoroheptyl succinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1,1,7-trihydroperfluoroheptyl succinate has 0 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 1,1,7-trihydroperfluoroheptyl succinate?
The CAS number of Ethyl 1,1,7-trihydroperfluoroheptyl succinate is 18770-67-7.
What is the molecular formula of Ethyl 1,1,7-trihydroperfluoroheptyl succinate?
The molecular formula of Ethyl 1,1,7-trihydroperfluoroheptyl succinate is C13H12F12O4.
What is the molecular weight of Ethyl 1,1,7-trihydroperfluoroheptyl succinate?
The molecular weight of Ethyl 1,1,7-trihydroperfluoroheptyl succinate is 460.05 g/mol.
Where can I buy Ethyl 1,1,7-trihydroperfluoroheptyl succinate?
You can request a quote for Ethyl 1,1,7-trihydroperfluoroheptyl succinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1,1,7-trihydroperfluoroheptyl succinate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1,1,7-trihydroperfluoroheptyl succinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.