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3-[(3-Fluorophenyl)amino]cyclohex-2-en-1-one
TL;DR: 3-[(3-Fluorophenyl)amino]cyclohex-2-en-1-one (CAS 191089-80-2) is a chemical compound with molecular formula C12H12FNO and molecular weight 205.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-fluoroanilino)cyclohex-2-en-1-one
Also Known As: 3-[(3-fluorophenyl)amino]cyclohex-2-en-1-one, 3-(3-fluoroanilino)cyclohex-2-en-1-one, 3-((3-Fluorophenyl)amino)cyclohex-2-enone, 2-cyclohexen-1-one, 3-[(3-fluorophenyl)amino]-, 3-(3-Fluoroanilino)-2-cyclohexen-1-one
| Molecular Formula | C12H12FNO |
|---|---|
| Molecular Weight | 205.09 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 205.09029 |
| Heavy Atoms | 15 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 191089-80-2 |
|---|---|
| SMILES | C1CC(=CC(=O)C1)NC2=CC(=CC=C2)F |
| InChIKey | VSYILMIYVRAESQ-UHFFFAOYSA-N |
Product Overview
3-[(3-Fluorophenyl)amino]cyclohex-2-en-1-one (CAS 191089-80-2), with molecular formula C12H12FNO and molecular weight 205.09 g/mol. IUPAC: 3-(3-fluoroanilino)cyclohex-2-en-1-one.
Chemical Property Profile of 3-[(3-Fluorophenyl)amino]cyclohex-2-en-1-one
Property Insights of 3-[(3-Fluorophenyl)amino]cyclohex-2-en-1-one
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(3-Fluorophenyl)amino]cyclohex-2-en-1-one. With a topological polar surface area (TPSA) of 29.1 Ų, 3-[(3-Fluorophenyl)amino]cyclohex-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(3-Fluorophenyl)amino]cyclohex-2-en-1-one 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 3-[(3-Fluorophenyl)amino]cyclohex-2-en-1-one?
The CAS number of 3-[(3-Fluorophenyl)amino]cyclohex-2-en-1-one is 191089-80-2.
What is the molecular formula of 3-[(3-Fluorophenyl)amino]cyclohex-2-en-1-one?
The molecular formula of 3-[(3-Fluorophenyl)amino]cyclohex-2-en-1-one is C12H12FNO.
What is the molecular weight of 3-[(3-Fluorophenyl)amino]cyclohex-2-en-1-one?
The molecular weight of 3-[(3-Fluorophenyl)amino]cyclohex-2-en-1-one is 205.09 g/mol.
Where can I buy 3-[(3-Fluorophenyl)amino]cyclohex-2-en-1-one?
You can request a quote for 3-[(3-Fluorophenyl)amino]cyclohex-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(3-Fluorophenyl)amino]cyclohex-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[(3-Fluorophenyl)amino]cyclohex-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.