2,2,3,3,4,4,5,5-Octafluoropentyl 2,4,6-trimethylbenzoate
TL;DR: 2,2,3,3,4,4,5,5-Octafluoropentyl 2,4,6-trimethylbenzoate (CAS 18770-69-9) is a chemical compound with molecular formula C15H14F8O2 and molecular weight 378.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,3,3,4,4,5,5-octafluoropentyl 2,4,6-trimethylbenzoate
Also Known As: 2,2,3,3,4,4,5,5-Octafluoropentyl 2,4,6-trimethylbenzoate, 2,4,6-Trimethylbenzoic acid 2,2,3,3,4,4,5,5-octafluoropentyl ester, Benzoic acid, 2,4,6-trimethyl-, 2,2,3,3,4,4,5,5-octafluoropentyl ester, 2,2,3,3,4,4,5,5-Octafluoropentyl 2,4,6-trimethylbenzoate #, RefChem:242695
| Molecular Formula | C15H14F8O2 |
|---|---|
| Molecular Weight | 378.09 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 378.0866 |
| Heavy Atoms | 25 |
| Complexity | 468.0 |
Chemical Identifiers
| CAS Number | 18770-69-9 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)C(=O)OCC(C(C(C(F)F)(F)F)(F)F)(F)F)C |
| InChIKey | MJYFIZPSRNIRQG-UHFFFAOYSA-N |
Product Overview
2,2,3,3,4,4,5,5-Octafluoropentyl 2,4,6-trimethylbenzoate (CAS 18770-69-9), with molecular formula C15H14F8O2 and molecular weight 378.09 g/mol. IUPAC: 2,2,3,3,4,4,5,5-octafluoropentyl 2,4,6-trimethylbenzoate.
Chemical Property Profile of 2,2,3,3,4,4,5,5-Octafluoropentyl 2,4,6-trimethylbenzoate
Property Insights of 2,2,3,3,4,4,5,5-Octafluoropentyl 2,4,6-trimethylbenzoate
The XLogP value of 5.7 indicates that 2,2,3,3,4,4,5,5-Octafluoropentyl 2,4,6-trimethylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2,2,3,3,4,4,5,5-Octafluoropentyl 2,4,6-trimethylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,3,3,4,4,5,5-Octafluoropentyl 2,4,6-trimethylbenzoate has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,2,3,3,4,4,5,5-Octafluoropentyl 2,4,6-trimethylbenzoate?
The CAS number of 2,2,3,3,4,4,5,5-Octafluoropentyl 2,4,6-trimethylbenzoate is 18770-69-9.
What is the molecular formula of 2,2,3,3,4,4,5,5-Octafluoropentyl 2,4,6-trimethylbenzoate?
The molecular formula of 2,2,3,3,4,4,5,5-Octafluoropentyl 2,4,6-trimethylbenzoate is C15H14F8O2.
What is the molecular weight of 2,2,3,3,4,4,5,5-Octafluoropentyl 2,4,6-trimethylbenzoate?
The molecular weight of 2,2,3,3,4,4,5,5-Octafluoropentyl 2,4,6-trimethylbenzoate is 378.09 g/mol.
Where can I buy 2,2,3,3,4,4,5,5-Octafluoropentyl 2,4,6-trimethylbenzoate?
You can request a quote for 2,2,3,3,4,4,5,5-Octafluoropentyl 2,4,6-trimethylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,3,3,4,4,5,5-Octafluoropentyl 2,4,6-trimethylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2,2,3,3,4,4,5,5-Octafluoropentyl 2,4,6-trimethylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.