5,5-Dimethyl-3-((4-(2,2,3,3-tetrafluoropropoxy)phenyl)amino)cyclohex-2-enone
TL;DR: 5,5-Dimethyl-3-((4-(2,2,3,3-tetrafluoropropoxy)phenyl)amino)cyclohex-2-enone (CAS 300815-68-3) is a chemical compound with molecular formula C17H19F4NO2 and molecular weight 345.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-dimethyl-3-[4-(2,2,3,3-tetrafluoropropoxy)anilino]cyclohex-2-en-1-one
Also Known As: BAS 00355308, VU0225484-4, AE-848/08502045, 5,5-dimethyl-3-((4-(2,2,3,3-tetrafluoropropoxy)phenyl)amino)cyclohex-2-enone, 5,5-DIMETHYL-3-{[4-(2,2,3,3-TETRAFLUOROPROPOXY)PHENYL]AMINO}CYCLOHEX-2-EN-1-ONE
| Molecular Formula | C17H19F4NO2 |
|---|---|
| Molecular Weight | 345.14 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 345.1352 |
| Heavy Atoms | 24 |
| Complexity | 483.0 |
Chemical Identifiers
| CAS Number | 300815-68-3 |
|---|---|
| SMILES | CC1(CC(=CC(=O)C1)NC2=CC=C(C=C2)OCC(C(F)F)(F)F)C |
| InChIKey | SONJVEWBAAHKRQ-UHFFFAOYSA-N |
Product Overview
5,5-Dimethyl-3-((4-(2,2,3,3-tetrafluoropropoxy)phenyl)amino)cyclohex-2-enone (CAS 300815-68-3), with molecular formula C17H19F4NO2 and molecular weight 345.14 g/mol. IUPAC: 5,5-dimethyl-3-[4-(2,2,3,3-tetrafluoropropoxy)anilino]cyclohex-2-en-1-one.
Chemical Property Profile of 5,5-Dimethyl-3-((4-(2,2,3,3-tetrafluoropropoxy)phenyl)amino)cyclohex-2-enone
Property Insights of 5,5-Dimethyl-3-((4-(2,2,3,3-tetrafluoropropoxy)phenyl)amino)cyclohex-2-enone
The XLogP value of 4.5 indicates that 5,5-Dimethyl-3-((4-(2,2,3,3-tetrafluoropropoxy)phenyl)amino)cyclohex-2-enone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, 5,5-Dimethyl-3-((4-(2,2,3,3-tetrafluoropropoxy)phenyl)amino)cyclohex-2-enone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,5-Dimethyl-3-((4-(2,2,3,3-tetrafluoropropoxy)phenyl)amino)cyclohex-2-enone has 1 hydrogen bond donor(s) and 7 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 5,5-Dimethyl-3-((4-(2,2,3,3-tetrafluoropropoxy)phenyl)amino)cyclohex-2-enone?
The CAS number of 5,5-Dimethyl-3-((4-(2,2,3,3-tetrafluoropropoxy)phenyl)amino)cyclohex-2-enone is 300815-68-3.
What is the molecular formula of 5,5-Dimethyl-3-((4-(2,2,3,3-tetrafluoropropoxy)phenyl)amino)cyclohex-2-enone?
The molecular formula of 5,5-Dimethyl-3-((4-(2,2,3,3-tetrafluoropropoxy)phenyl)amino)cyclohex-2-enone is C17H19F4NO2.
What is the molecular weight of 5,5-Dimethyl-3-((4-(2,2,3,3-tetrafluoropropoxy)phenyl)amino)cyclohex-2-enone?
The molecular weight of 5,5-Dimethyl-3-((4-(2,2,3,3-tetrafluoropropoxy)phenyl)amino)cyclohex-2-enone is 345.14 g/mol.
Where can I buy 5,5-Dimethyl-3-((4-(2,2,3,3-tetrafluoropropoxy)phenyl)amino)cyclohex-2-enone?
You can request a quote for 5,5-Dimethyl-3-((4-(2,2,3,3-tetrafluoropropoxy)phenyl)amino)cyclohex-2-enone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,5-Dimethyl-3-((4-(2,2,3,3-tetrafluoropropoxy)phenyl)amino)cyclohex-2-enone?
Yes, KEHONG BIO provides custom synthesis services for 5,5-Dimethyl-3-((4-(2,2,3,3-tetrafluoropropoxy)phenyl)amino)cyclohex-2-enone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.