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Benzeneethanamine, 3,4-dimethoxy-N-[(pentafluorophenyl)methylene]-
TL;DR: Benzeneethanamine, 3,4-dimethoxy-N-[(pentafluorophenyl)methylene]- (CAS 55334-05-9) is a chemical compound with molecular formula C17H14F5NO2 and molecular weight 359.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2,3,4,5,6-pentafluorophenyl)methanimine
Also Known As: N-[2- ethyl] methanimine, Benzeneethanamine, 3,4-dimethoxy-N-[(pentafluorophenyl)methylene]-, N-[2-(3,4-Dimethoxyphenyl)ethyl](pentafluorophenyl)methanimine, N-[2-(3,4-dimethoxyphenyl)ethyl ](pentafluorophenyl)methanimine, [2-(3,4-dimethoxyphenyl)ethyl][(2,3,4,5,6-pentafluorophenyl)methylidene]amine
| Molecular Formula | C17H14F5NO2 |
|---|---|
| Molecular Weight | 359.09 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 30.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 359.09448 |
| Heavy Atoms | 25 |
| Complexity | 425.0 |
Chemical Identifiers
| CAS Number | 55334-05-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCN=CC2=C(C(=C(C(=C2F)F)F)F)F)OC |
| InChIKey | OVZBSJFTHDKGIV-UHFFFAOYSA-N |
Product Overview
Benzeneethanamine, 3,4-dimethoxy-N-[(pentafluorophenyl)methylene]- (CAS 55334-05-9), with molecular formula C17H14F5NO2 and molecular weight 359.09 g/mol. IUPAC: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2,3,4,5,6-pentafluorophenyl)methanimine.
Chemical Property Profile of Benzeneethanamine, 3,4-dimethoxy-N-[(pentafluorophenyl)methylene]-
Property Insights of Benzeneethanamine, 3,4-dimethoxy-N-[(pentafluorophenyl)methylene]-
The XLogP value of 3.5 indicates that Benzeneethanamine, 3,4-dimethoxy-N-[(pentafluorophenyl)methylene]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.8 Ų, Benzeneethanamine, 3,4-dimethoxy-N-[(pentafluorophenyl)methylene]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneethanamine, 3,4-dimethoxy-N-[(pentafluorophenyl)methylene]- has 0 hydrogen bond donor(s) and 8 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 Benzeneethanamine, 3,4-dimethoxy-N-[(pentafluorophenyl)methylene]-?
The CAS number of Benzeneethanamine, 3,4-dimethoxy-N-[(pentafluorophenyl)methylene]- is 55334-05-9.
What is the molecular formula of Benzeneethanamine, 3,4-dimethoxy-N-[(pentafluorophenyl)methylene]-?
The molecular formula of Benzeneethanamine, 3,4-dimethoxy-N-[(pentafluorophenyl)methylene]- is C17H14F5NO2.
What is the molecular weight of Benzeneethanamine, 3,4-dimethoxy-N-[(pentafluorophenyl)methylene]-?
The molecular weight of Benzeneethanamine, 3,4-dimethoxy-N-[(pentafluorophenyl)methylene]- is 359.09 g/mol.
Where can I buy Benzeneethanamine, 3,4-dimethoxy-N-[(pentafluorophenyl)methylene]-?
You can request a quote for Benzeneethanamine, 3,4-dimethoxy-N-[(pentafluorophenyl)methylene]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneethanamine, 3,4-dimethoxy-N-[(pentafluorophenyl)methylene]-?
Yes, KEHONG BIO provides custom synthesis services for Benzeneethanamine, 3,4-dimethoxy-N-[(pentafluorophenyl)methylene]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.