2-Cyclohexen-1-one, 3-((2-fluorophenyl)amino)-5,5-dimethyl-
TL;DR: 2-Cyclohexen-1-one, 3-((2-fluorophenyl)amino)-5,5-dimethyl- (CAS 145657-36-9) is a chemical compound with molecular formula C14H16FNO and molecular weight 233.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-fluoroanilino)-5,5-dimethylcyclohex-2-en-1-one
Also Known As: Disilanchlorid, 3-[(2-fluorophenyl)amino]-5,5-dimethylcyclohex-2-en-1-one, 3-(2-Fluoroanilino)-5,5-dimethyl-2-cyclohexen-1-one, 3-(2-fluoroanilino)-5,5-dimethylcyclohex-2-en-1-one, BAS 01109653
| Molecular Formula | C14H16FNO |
|---|---|
| Molecular Weight | 233.12 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 233.1216 |
| Heavy Atoms | 17 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 145657-36-9 |
|---|---|
| SMILES | CC1(CC(=CC(=O)C1)NC2=CC=CC=C2F)C |
| InChIKey | NSVGOUMJUPQQKS-UHFFFAOYSA-N |
Product Overview
2-Cyclohexen-1-one, 3-((2-fluorophenyl)amino)-5,5-dimethyl- (CAS 145657-36-9), with molecular formula C14H16FNO and molecular weight 233.12 g/mol. IUPAC: 3-(2-fluoroanilino)-5,5-dimethylcyclohex-2-en-1-one.
Chemical Property Profile of 2-Cyclohexen-1-one, 3-((2-fluorophenyl)amino)-5,5-dimethyl-
Property Insights of 2-Cyclohexen-1-one, 3-((2-fluorophenyl)amino)-5,5-dimethyl-
The XLogP value of 3.1 indicates that 2-Cyclohexen-1-one, 3-((2-fluorophenyl)amino)-5,5-dimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, 2-Cyclohexen-1-one, 3-((2-fluorophenyl)amino)-5,5-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Cyclohexen-1-one, 3-((2-fluorophenyl)amino)-5,5-dimethyl- has 1 hydrogen bond donor(s) and 3 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 2-Cyclohexen-1-one, 3-((2-fluorophenyl)amino)-5,5-dimethyl-?
The CAS number of 2-Cyclohexen-1-one, 3-((2-fluorophenyl)amino)-5,5-dimethyl- is 145657-36-9.
What is the molecular formula of 2-Cyclohexen-1-one, 3-((2-fluorophenyl)amino)-5,5-dimethyl-?
The molecular formula of 2-Cyclohexen-1-one, 3-((2-fluorophenyl)amino)-5,5-dimethyl- is C14H16FNO.
What is the molecular weight of 2-Cyclohexen-1-one, 3-((2-fluorophenyl)amino)-5,5-dimethyl-?
The molecular weight of 2-Cyclohexen-1-one, 3-((2-fluorophenyl)amino)-5,5-dimethyl- is 233.12 g/mol.
Where can I buy 2-Cyclohexen-1-one, 3-((2-fluorophenyl)amino)-5,5-dimethyl-?
You can request a quote for 2-Cyclohexen-1-one, 3-((2-fluorophenyl)amino)-5,5-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyclohexen-1-one, 3-((2-fluorophenyl)amino)-5,5-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyclohexen-1-one, 3-((2-fluorophenyl)amino)-5,5-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.