3-(Dimethylamino)-1-(3-fluoro-4-methoxyphenyl)propan-1-one
TL;DR: 3-(Dimethylamino)-1-(3-fluoro-4-methoxyphenyl)propan-1-one (CAS 499997-25-0) is a chemical compound with molecular formula C12H16FNO2 and molecular weight 225.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(dimethylamino)-1-(3-fluoro-4-methoxyphenyl)propan-1-one
Also Known As: Aldi-2, >=95% (HPLC), BAS 01123841, 3-(dimethylamino)-1-(3-fluoro-4-methoxyphenyl)propan-1-one, AB00093557-01, 3-Dimethylamino-1-(3-fluoro-4-methoxy-phenyl)-propan-1-one
| Molecular Formula | C12H16FNO2 |
|---|---|
| Molecular Weight | 225.12 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 225.1165 |
| Heavy Atoms | 16 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 499997-25-0 |
|---|---|
| SMILES | CN(C)CCC(=O)C1=CC(=C(C=C1)OC)F |
| InChIKey | RNKMLXKYVDDHBX-UHFFFAOYSA-N |
Product Overview
3-(Dimethylamino)-1-(3-fluoro-4-methoxyphenyl)propan-1-one (CAS 499997-25-0), with molecular formula C12H16FNO2 and molecular weight 225.12 g/mol. IUPAC: 3-(dimethylamino)-1-(3-fluoro-4-methoxyphenyl)propan-1-one.
Chemical Property Profile of 3-(Dimethylamino)-1-(3-fluoro-4-methoxyphenyl)propan-1-one
Property Insights of 3-(Dimethylamino)-1-(3-fluoro-4-methoxyphenyl)propan-1-one
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Dimethylamino)-1-(3-fluoro-4-methoxyphenyl)propan-1-one. With a topological polar surface area (TPSA) of 29.5 Ų, 3-(Dimethylamino)-1-(3-fluoro-4-methoxyphenyl)propan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Dimethylamino)-1-(3-fluoro-4-methoxyphenyl)propan-1-one has 0 hydrogen bond donor(s) and 4 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-(3-fluoro-4-methoxyphenyl)propan-1-one?
The CAS number of 3-(Dimethylamino)-1-(3-fluoro-4-methoxyphenyl)propan-1-one is 499997-25-0.
What is the molecular formula of 3-(Dimethylamino)-1-(3-fluoro-4-methoxyphenyl)propan-1-one?
The molecular formula of 3-(Dimethylamino)-1-(3-fluoro-4-methoxyphenyl)propan-1-one is C12H16FNO2.
What is the molecular weight of 3-(Dimethylamino)-1-(3-fluoro-4-methoxyphenyl)propan-1-one?
The molecular weight of 3-(Dimethylamino)-1-(3-fluoro-4-methoxyphenyl)propan-1-one is 225.12 g/mol.
Where can I buy 3-(Dimethylamino)-1-(3-fluoro-4-methoxyphenyl)propan-1-one?
You can request a quote for 3-(Dimethylamino)-1-(3-fluoro-4-methoxyphenyl)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-(3-fluoro-4-methoxyphenyl)propan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(Dimethylamino)-1-(3-fluoro-4-methoxyphenyl)propan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.