4,5-Dimethoxy-2-(trifluoromethyl)aniline
TL;DR: 4,5-Dimethoxy-2-(trifluoromethyl)aniline (CAS 500698-46-4) is a chemical compound with molecular formula C9H10F3NO2 and molecular weight 221.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dimethoxy-2-(trifluoromethyl)aniline
Also Known As: 4,5-Dimethoxy-2-(trifluoromethyl)aniline, 2-Amino-4,5-dimethoxybenzotrifluoride, 4,5-Dimethoxy-2-(trifluoromethyl)aniline #, 996-099-1, RefChem:507791
| Molecular Formula | C9H10F3NO2 |
|---|---|
| Molecular Weight | 221.07 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 44.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.06636 |
| Heavy Atoms | 15 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 500698-46-4 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)C(F)(F)F)N)OC |
| InChIKey | RVFJSOZGQWYDAF-UHFFFAOYSA-N |
Product Overview
4,5-Dimethoxy-2-(trifluoromethyl)aniline (CAS 500698-46-4), with molecular formula C9H10F3NO2 and molecular weight 221.07 g/mol. IUPAC: 4,5-dimethoxy-2-(trifluoromethyl)aniline.
Chemical Property Profile of 4,5-Dimethoxy-2-(trifluoromethyl)aniline
Property Insights of 4,5-Dimethoxy-2-(trifluoromethyl)aniline
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Dimethoxy-2-(trifluoromethyl)aniline. With a topological polar surface area (TPSA) of 44.5 Ų, 4,5-Dimethoxy-2-(trifluoromethyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-Dimethoxy-2-(trifluoromethyl)aniline has 1 hydrogen bond donor(s) and 6 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 4,5-Dimethoxy-2-(trifluoromethyl)aniline?
The CAS number of 4,5-Dimethoxy-2-(trifluoromethyl)aniline is 500698-46-4.
What is the molecular formula of 4,5-Dimethoxy-2-(trifluoromethyl)aniline?
The molecular formula of 4,5-Dimethoxy-2-(trifluoromethyl)aniline is C9H10F3NO2.
What is the molecular weight of 4,5-Dimethoxy-2-(trifluoromethyl)aniline?
The molecular weight of 4,5-Dimethoxy-2-(trifluoromethyl)aniline is 221.07 g/mol.
Where can I buy 4,5-Dimethoxy-2-(trifluoromethyl)aniline?
You can request a quote for 4,5-Dimethoxy-2-(trifluoromethyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Dimethoxy-2-(trifluoromethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dimethoxy-2-(trifluoromethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.