Benzeneethanamine, 2-fluoro-4,5-dimethoxy-
TL;DR: Benzeneethanamine, 2-fluoro-4,5-dimethoxy- (CAS 99424-76-7) is a chemical compound with molecular formula C10H14FNO2 and molecular weight 199.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-fluoro-4,5-dimethoxyphenyl)ethanamine
Also Known As: 3,4-DIMETHOXY-6-FLUORO-PHENYLETHYLAMINE, Ecgonidine methyl ester mesylate, Benzeneethanamine, 2-fluoro-4,5-dimethoxy-, 2-(2-Fluoro-4,5-dimethoxyphenyl)ethanamine, 2-(2-fluoro-4,5-dimethoxyphenyl)ethan-1-amine
| Molecular Formula | C10H14FNO2 |
|---|---|
| Molecular Weight | 199.10 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 44.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 199.10086 |
| Heavy Atoms | 14 |
| Complexity | 168.0 |
Chemical Identifiers
| CAS Number | 99424-76-7 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)CCN)F)OC |
| InChIKey | ITGAJFDPLNWOGD-UHFFFAOYSA-N |
Product Overview
Benzeneethanamine, 2-fluoro-4,5-dimethoxy- (CAS 99424-76-7), with molecular formula C10H14FNO2 and molecular weight 199.10 g/mol. IUPAC: 2-(2-fluoro-4,5-dimethoxyphenyl)ethanamine.
Chemical Property Profile of Benzeneethanamine, 2-fluoro-4,5-dimethoxy-
Property Insights of Benzeneethanamine, 2-fluoro-4,5-dimethoxy-
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneethanamine, 2-fluoro-4,5-dimethoxy-. With a topological polar surface area (TPSA) of 44.5 Ų, Benzeneethanamine, 2-fluoro-4,5-dimethoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneethanamine, 2-fluoro-4,5-dimethoxy- has 1 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 Benzeneethanamine, 2-fluoro-4,5-dimethoxy-?
The CAS number of Benzeneethanamine, 2-fluoro-4,5-dimethoxy- is 99424-76-7.
What is the molecular formula of Benzeneethanamine, 2-fluoro-4,5-dimethoxy-?
The molecular formula of Benzeneethanamine, 2-fluoro-4,5-dimethoxy- is C10H14FNO2.
What is the molecular weight of Benzeneethanamine, 2-fluoro-4,5-dimethoxy-?
The molecular weight of Benzeneethanamine, 2-fluoro-4,5-dimethoxy- is 199.10 g/mol.
Where can I buy Benzeneethanamine, 2-fluoro-4,5-dimethoxy-?
You can request a quote for Benzeneethanamine, 2-fluoro-4,5-dimethoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneethanamine, 2-fluoro-4,5-dimethoxy-?
Yes, KEHONG BIO provides custom synthesis services for Benzeneethanamine, 2-fluoro-4,5-dimethoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.