4,4-Difluororetinyl palmitate
TL;DR: 4,4-Difluororetinyl palmitate (CAS 91484-94-5) is a chemical compound with molecular formula C36H58F2O2 and molecular weight 560.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2Z,4E,6Z,8E)-9-(3,3-difluoro-2,6,6-trimethylcyclohexen-1-yl)-3,7-dimethylnona-2,4,6,8-tetraenyl] hexadecanoate
Also Known As: 4,4-Difluororetinyl palmitate, trans-4,4-Difluororetinyl acetate, Retinol, 4,4-difluoro-, hexadecanoate, [(2Z,4E,6Z,8E)-9-(3,3-difluoro-2,6,6-trimethylcyclohexen-1-yl)-3,7-dimethylnona-2,4,6,8-tetraenyl] hexadecanoate, [9-(3,3-difluoro-2,6,6-trimethylcyclohexen-1-yl)-3,7-dimethylnona-2,4,6,8-tetraenyl] hexadecanoate
| Molecular Formula | C36H58F2O2 |
|---|---|
| Molecular Weight | 560.44 g/mol |
| LogP | 11.7877 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 20 |
| Exact Mass | 560.4405 |
| Heavy Atoms | 40 |
| Complexity | 886.4742 |
Chemical Identifiers
| CAS Number | 91484-94-5 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)OC/C=C(/C)\C=C\C=C(\C)/C=C/C1=C(C(CCC1(C)C)(F)F)C |
Product Overview
4,4-Difluororetinyl palmitate (CAS 91484-94-5), with molecular formula C36H58F2O2 and molecular weight 560.44 g/mol. IUPAC: [(2Z,4E,6Z,8E)-9-(3,3-difluoro-2,6,6-trimethylcyclohexen-1-yl)-3,7-dimethylnona-2,4,6,8-tetraenyl] hexadecanoate.
Chemical Property Profile of 4,4-Difluororetinyl palmitate
Property Insights of 4,4-Difluororetinyl palmitate
The XLogP value of 11.7877 indicates that 4,4-Difluororetinyl palmitate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 4,4-Difluororetinyl palmitate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4-Difluororetinyl palmitate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4,4-Difluororetinyl palmitate?
The CAS number of 4,4-Difluororetinyl palmitate is 91484-94-5.
What is the molecular formula of 4,4-Difluororetinyl palmitate?
The molecular formula of 4,4-Difluororetinyl palmitate is C36H58F2O2.
What is the molecular weight of 4,4-Difluororetinyl palmitate?
The molecular weight of 4,4-Difluororetinyl palmitate is 560.44 g/mol.
Where can I buy 4,4-Difluororetinyl palmitate?
You can request a quote for 4,4-Difluororetinyl palmitate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-Difluororetinyl palmitate?
Yes, KEHONG BIO provides custom synthesis services for 4,4-Difluororetinyl palmitate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.