4,4-Difluororetinol
TL;DR: 4,4-Difluororetinol (CAS 90660-21-2) is a chemical compound with molecular formula C20H28F2O and molecular weight 322.21 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-tetraen-1-ol
Also Known As: 4,4-Difluororetinol
| Molecular Formula | C20H28F2O |
|---|---|
| Molecular Weight | 322.21 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 322.21082 |
| Heavy Atoms | 23 |
| Complexity | 572.0 |
Chemical Identifiers
| CAS Number | 90660-21-2 |
|---|---|
| SMILES | CC1=C(C(CCC1(F)F)(C)C)C=CC(=CC=CC(=CCO)C)C |
| InChIKey | CCXJNLIAIULEDQ-UHFFFAOYSA-N |
Product Overview
4,4-Difluororetinol (CAS 90660-21-2), with molecular formula C20H28F2O and molecular weight 322.21 g/mol. IUPAC: 9-(3,3-difluoro-2,6,6-trimethylcyclohexen-1-yl)-3,7-dimethylnona-2,4,6,8-tetraen-1-ol.
Chemical Property Profile of 4,4-Difluororetinol
Property Insights of 4,4-Difluororetinol
The XLogP value of 5.6 indicates that 4,4-Difluororetinol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 4,4-Difluororetinol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4-Difluororetinol has 1 hydrogen bond donor(s) and 3 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-Difluororetinol?
The CAS number of 4,4-Difluororetinol is 90660-21-2.
What is the molecular formula of 4,4-Difluororetinol?
The molecular formula of 4,4-Difluororetinol is C20H28F2O.
What is the molecular weight of 4,4-Difluororetinol?
The molecular weight of 4,4-Difluororetinol is 322.21 g/mol.
Where can I buy 4,4-Difluororetinol?
You can request a quote for 4,4-Difluororetinol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-Difluororetinol?
Yes, KEHONG BIO provides custom synthesis services for 4,4-Difluororetinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.