3-(Dimethylamino)-1-(2-fluoro-4-methylphenyl)propan-1-one
TL;DR: 3-(Dimethylamino)-1-(2-fluoro-4-methylphenyl)propan-1-one (CAS 797806-84-9) is a chemical compound with molecular formula C12H16FNO and molecular weight 209.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(dimethylamino)-1-(2-fluoro-4-methylphenyl)propan-1-one
Also Known As: 3-(Dimethylamino)-1-(2-fluoro-4-methylphenyl)-1-propanone, 3-(dimethylamino)-1-(2-fluoro-4-methylphenyl)propan-1-one, 3-dimethylamino-1-(2-fluoro-4-methyl-phenyl)propan-1-one, 1-PROPANONE, 3-(DIMETHYLAMINO)-1-(2-FLUORO-4-METHYLPHENYL)-, 1-Propanone, 3-(dimethylamino)-1-(2-fluoro-4-methylphenyl)- (9CI)
| Molecular Formula | C12H16FNO |
|---|---|
| Molecular Weight | 209.12 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 209.1216 |
| Heavy Atoms | 15 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 797806-84-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(=O)CCN(C)C)F |
| InChIKey | KEQFCHDIGQCFFX-UHFFFAOYSA-N |
Product Overview
3-(Dimethylamino)-1-(2-fluoro-4-methylphenyl)propan-1-one (CAS 797806-84-9), with molecular formula C12H16FNO and molecular weight 209.12 g/mol. IUPAC: 3-(dimethylamino)-1-(2-fluoro-4-methylphenyl)propan-1-one.
Chemical Property Profile of 3-(Dimethylamino)-1-(2-fluoro-4-methylphenyl)propan-1-one
Property Insights of 3-(Dimethylamino)-1-(2-fluoro-4-methylphenyl)propan-1-one
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Dimethylamino)-1-(2-fluoro-4-methylphenyl)propan-1-one. With a topological polar surface area (TPSA) of 20.3 Ų, 3-(Dimethylamino)-1-(2-fluoro-4-methylphenyl)propan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Dimethylamino)-1-(2-fluoro-4-methylphenyl)propan-1-one has 0 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-(Dimethylamino)-1-(2-fluoro-4-methylphenyl)propan-1-one?
The CAS number of 3-(Dimethylamino)-1-(2-fluoro-4-methylphenyl)propan-1-one is 797806-84-9.
What is the molecular formula of 3-(Dimethylamino)-1-(2-fluoro-4-methylphenyl)propan-1-one?
The molecular formula of 3-(Dimethylamino)-1-(2-fluoro-4-methylphenyl)propan-1-one is C12H16FNO.
What is the molecular weight of 3-(Dimethylamino)-1-(2-fluoro-4-methylphenyl)propan-1-one?
The molecular weight of 3-(Dimethylamino)-1-(2-fluoro-4-methylphenyl)propan-1-one is 209.12 g/mol.
Where can I buy 3-(Dimethylamino)-1-(2-fluoro-4-methylphenyl)propan-1-one?
You can request a quote for 3-(Dimethylamino)-1-(2-fluoro-4-methylphenyl)propan-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-(Dimethylamino)-1-(2-fluoro-4-methylphenyl)propan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(Dimethylamino)-1-(2-fluoro-4-methylphenyl)propan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.