4,4-difluororetinylacetate
TL;DR: 4,4-difluororetinylacetate (CAS 90660-22-3) is a chemical compound with molecular formula C22H30F2O2 and molecular weight 364.22 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] acetate
Also Known As: 4,4-difluororetinylacetate
| Molecular Formula | C22H30F2O2 |
|---|---|
| Molecular Weight | 364.22 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 364.22137 |
| Heavy Atoms | 26 |
| Complexity | 674.0 |
Chemical Identifiers
| CAS Number | 90660-22-3 |
|---|---|
| SMILES | CC1=C(C(CCC1(F)F)(C)C)C=CC(=CC=CC(=CCOC(=O)C)C)C |
| InChIKey | QPWYWPGVGWTTLD-UHFFFAOYSA-N |
Product Overview
4,4-difluororetinylacetate (CAS 90660-22-3), with molecular formula C22H30F2O2 and molecular weight 364.22 g/mol. IUPAC: [9-(3,3-difluoro-2,6,6-trimethylcyclohexen-1-yl)-3,7-dimethylnona-2,4,6,8-tetraenyl] acetate.
Chemical Property Profile of 4,4-difluororetinylacetate
Property Insights of 4,4-difluororetinylacetate
The XLogP value of 6.1 indicates that 4,4-difluororetinylacetate 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-difluororetinylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4-difluororetinylacetate 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-difluororetinylacetate?
The CAS number of 4,4-difluororetinylacetate is 90660-22-3.
What is the molecular formula of 4,4-difluororetinylacetate?
The molecular formula of 4,4-difluororetinylacetate is C22H30F2O2.
What is the molecular weight of 4,4-difluororetinylacetate?
The molecular weight of 4,4-difluororetinylacetate is 364.22 g/mol.
Where can I buy 4,4-difluororetinylacetate?
You can request a quote for 4,4-difluororetinylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-difluororetinylacetate?
Yes, KEHONG BIO provides custom synthesis services for 4,4-difluororetinylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.