4,4-Difluoro-O~15~-hexadecanoylretinol
TL;DR: 4,4-Difluoro-O~15~-hexadecanoylretinol (CAS 90660-23-4) 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.
[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, (4-Dimethylamino-phenyl)-arsonsaeure, 4,4-Difluoro-O~15~-hexadecanoylretinol, (9cis,13cis)-4,4-Difluoro-O15-palmitoylretinol, [(2Z,4E,6Z,8E)-9-(3,3-difluoro-2,6,6-trimethyl-1-cyclohexenyl)-3,7-dimethyl-nona-2,4,6,8-tetraenyl] hexadecanoate
| Molecular Formula | C36H58F2O2 |
|---|---|
| Molecular Weight | 560.44 g/mol |
| LogP | 13.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 21 |
| Exact Mass | 560.4405 |
| Heavy Atoms | 40 |
| Complexity | 886.0 |
Chemical Identifiers
| CAS Number | 90660-23-4 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)OCC=C(C)C=CC=C(C)C=CC1=C(C(CCC1(C)C)(F)F)C |
| InChIKey | BNKWHAFOXQWHMR-UHFFFAOYSA-N |
Product Overview
4,4-Difluoro-O~15~-hexadecanoylretinol (CAS 90660-23-4), with molecular formula C36H58F2O2 and molecular weight 560.44 g/mol. IUPAC: [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-Difluoro-O~15~-hexadecanoylretinol
Property Insights of 4,4-Difluoro-O~15~-hexadecanoylretinol
The XLogP value of 13.5 indicates that 4,4-Difluoro-O~15~-hexadecanoylretinol 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-Difluoro-O~15~-hexadecanoylretinol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4-Difluoro-O~15~-hexadecanoylretinol has 0 hydrogen bond donor(s) and 4 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-Difluoro-O~15~-hexadecanoylretinol?
The CAS number of 4,4-Difluoro-O~15~-hexadecanoylretinol is 90660-23-4.
What is the molecular formula of 4,4-Difluoro-O~15~-hexadecanoylretinol?
The molecular formula of 4,4-Difluoro-O~15~-hexadecanoylretinol is C36H58F2O2.
What is the molecular weight of 4,4-Difluoro-O~15~-hexadecanoylretinol?
The molecular weight of 4,4-Difluoro-O~15~-hexadecanoylretinol is 560.44 g/mol.
Where can I buy 4,4-Difluoro-O~15~-hexadecanoylretinol?
You can request a quote for 4,4-Difluoro-O~15~-hexadecanoylretinol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-Difluoro-O~15~-hexadecanoylretinol?
Yes, KEHONG BIO provides custom synthesis services for 4,4-Difluoro-O~15~-hexadecanoylretinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.