1-O-(4,4,5,5,5-pentafluoropentyl) 2-O-prop-2-ynyl benzene-1,2-dicarboxylate
TL;DR: 1-O-(4,4,5,5,5-pentafluoropentyl) 2-O-prop-2-ynyl benzene-1,2-dicarboxylate (CAS 296881-45-3) is a chemical compound with molecular formula C16H13F5O4 and molecular weight 364.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O-(4,4,5,5,5-pentafluoropentyl) 2-O-prop-2-ynyl benzene-1,2-dicarboxylate
Also Known As: 4,4,5,5,5-pentafluoropentyl 2-propyn-1-yl phthalate, 4,4,5,5,5-pentafluoropentyl prop-2-yn-1-yl phthalate, 1-O-(4,4,5,5,5-pentafluoropentyl) 2-O-prop-2-ynyl benzene-1,2-dicarboxylate, 1-(4,4,5,5,5-Pentafluoropentyl) 2-(2-propynyl) phthalate #, 4,4,5,5,5-pentafluoropentyl prop-2-yn-1-yl benzene-1,2-dicarboxylate
| Molecular Formula | C16H13F5O4 |
|---|---|
| Molecular Weight | 364.07 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 364.0734 |
| Heavy Atoms | 25 |
| Complexity | 520.0 |
Chemical Identifiers
| CAS Number | 296881-45-3 |
|---|---|
| SMILES | C#CCOC(=O)C1=CC=CC=C1C(=O)OCCCC(C(F)(F)F)(F)F |
| InChIKey | QYLHJOPBSXVKPF-UHFFFAOYSA-N |
Product Overview
1-O-(4,4,5,5,5-pentafluoropentyl) 2-O-prop-2-ynyl benzene-1,2-dicarboxylate (CAS 296881-45-3), with molecular formula C16H13F5O4 and molecular weight 364.07 g/mol. IUPAC: 1-O-(4,4,5,5,5-pentafluoropentyl) 2-O-prop-2-ynyl benzene-1,2-dicarboxylate.
Chemical Property Profile of 1-O-(4,4,5,5,5-pentafluoropentyl) 2-O-prop-2-ynyl benzene-1,2-dicarboxylate
Property Insights of 1-O-(4,4,5,5,5-pentafluoropentyl) 2-O-prop-2-ynyl benzene-1,2-dicarboxylate
The XLogP value of 4.8 indicates that 1-O-(4,4,5,5,5-pentafluoropentyl) 2-O-prop-2-ynyl benzene-1,2-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 1-O-(4,4,5,5,5-pentafluoropentyl) 2-O-prop-2-ynyl benzene-1,2-dicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-O-(4,4,5,5,5-pentafluoropentyl) 2-O-prop-2-ynyl benzene-1,2-dicarboxylate has 0 hydrogen bond donor(s) and 9 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 1-O-(4,4,5,5,5-pentafluoropentyl) 2-O-prop-2-ynyl benzene-1,2-dicarboxylate?
The CAS number of 1-O-(4,4,5,5,5-pentafluoropentyl) 2-O-prop-2-ynyl benzene-1,2-dicarboxylate is 296881-45-3.
What is the molecular formula of 1-O-(4,4,5,5,5-pentafluoropentyl) 2-O-prop-2-ynyl benzene-1,2-dicarboxylate?
The molecular formula of 1-O-(4,4,5,5,5-pentafluoropentyl) 2-O-prop-2-ynyl benzene-1,2-dicarboxylate is C16H13F5O4.
What is the molecular weight of 1-O-(4,4,5,5,5-pentafluoropentyl) 2-O-prop-2-ynyl benzene-1,2-dicarboxylate?
The molecular weight of 1-O-(4,4,5,5,5-pentafluoropentyl) 2-O-prop-2-ynyl benzene-1,2-dicarboxylate is 364.07 g/mol.
Where can I buy 1-O-(4,4,5,5,5-pentafluoropentyl) 2-O-prop-2-ynyl benzene-1,2-dicarboxylate?
You can request a quote for 1-O-(4,4,5,5,5-pentafluoropentyl) 2-O-prop-2-ynyl benzene-1,2-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-O-(4,4,5,5,5-pentafluoropentyl) 2-O-prop-2-ynyl benzene-1,2-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1-O-(4,4,5,5,5-pentafluoropentyl) 2-O-prop-2-ynyl benzene-1,2-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.