![3-(Dimethylamino)-2-[3-(trifluoromethyl)phenyl]prop-2-enal structure](/static/products/591/59198-06-0.png)
3-(Dimethylamino)-2-[3-(trifluoromethyl)phenyl]prop-2-enal
TL;DR: 3-(Dimethylamino)-2-[3-(trifluoromethyl)phenyl]prop-2-enal (CAS 59198-06-0) is a chemical compound with molecular formula C12H12F3NO and molecular weight 243.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]prop-2-enal
Also Known As: 3-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]prop-2-enal, 2-(m-trifluoromethylphenyl)-3-dimethylaminoacrolein, 3-(dimethylamino)-2-[(3-trifluoromethyl)phenyl]-2-propenal, 3-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]-2-propenal, 3-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]acrylaldehyde
| Molecular Formula | C12H12F3NO |
|---|---|
| Molecular Weight | 243.09 g/mol |
| LogP | 2.8068 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 243.0871 |
| Heavy Atoms | 17 |
| Complexity | 435.62204 |
Chemical Identifiers
| CAS Number | 59198-06-0 |
|---|---|
| SMILES | CN(C)C=C(C=O)C1=CC(=CC=C1)C(F)(F)F |
Product Overview
3-(Dimethylamino)-2-[3-(trifluoromethyl)phenyl]prop-2-enal (CAS 59198-06-0), with molecular formula C12H12F3NO and molecular weight 243.09 g/mol. IUPAC: 3-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]prop-2-enal.
Chemical Property Profile of 3-(Dimethylamino)-2-[3-(trifluoromethyl)phenyl]prop-2-enal
Property Insights of 3-(Dimethylamino)-2-[3-(trifluoromethyl)phenyl]prop-2-enal
The XLogP value of 2.8068 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Dimethylamino)-2-[3-(trifluoromethyl)phenyl]prop-2-enal. With a topological polar surface area (TPSA) of 20.31 Ų, 3-(Dimethylamino)-2-[3-(trifluoromethyl)phenyl]prop-2-enal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Dimethylamino)-2-[3-(trifluoromethyl)phenyl]prop-2-enal has 0 hydrogen bond donor(s) and 2 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)-2-[3-(trifluoromethyl)phenyl]prop-2-enal?
The CAS number of 3-(Dimethylamino)-2-[3-(trifluoromethyl)phenyl]prop-2-enal is 59198-06-0.
What is the molecular formula of 3-(Dimethylamino)-2-[3-(trifluoromethyl)phenyl]prop-2-enal?
The molecular formula of 3-(Dimethylamino)-2-[3-(trifluoromethyl)phenyl]prop-2-enal is C12H12F3NO.
What is the molecular weight of 3-(Dimethylamino)-2-[3-(trifluoromethyl)phenyl]prop-2-enal?
The molecular weight of 3-(Dimethylamino)-2-[3-(trifluoromethyl)phenyl]prop-2-enal is 243.09 g/mol.
Where can I buy 3-(Dimethylamino)-2-[3-(trifluoromethyl)phenyl]prop-2-enal?
You can request a quote for 3-(Dimethylamino)-2-[3-(trifluoromethyl)phenyl]prop-2-enal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Dimethylamino)-2-[3-(trifluoromethyl)phenyl]prop-2-enal?
Yes, KEHONG BIO provides custom synthesis services for 3-(Dimethylamino)-2-[3-(trifluoromethyl)phenyl]prop-2-enal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.