RefChem:340863
TL;DR: RefChem:340863 (CAS 73927-53-4) is a chemical compound with molecular formula C22H26F3NO5 and molecular weight 441.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethyl 3,4,5-trimethoxybenzoate
Also Known As: Ethanol, 2-(alpha-methyl-m-trifluoromethylphenethylamino)-, 3,4,5-trimethoxybenzoate, 2-(alpha-Methyl-m-trifluoromethylphenethylamino)ethanol 3,4,5-trimethoxybenzoate, N-(2-Hydroxyethyl)-alpha-methyl-m-trifluoromethylphenethylamine 3,4,5-trimethoxybenzoate, Phenethylamine, N-(2-hydroxyethyl)-alpha-methyl-m-trifluoromethyl-, 3,4,5-trimethoxybenzoate, 2-[1-[3-(Trifluoromethyl)phenyl]propan-2-ylamino]ethyl3,4,5-trimethoxybenzoate
| Molecular Formula | C22H26F3NO5 |
|---|---|
| Molecular Weight | 441.18 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 66.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 441.1763 |
| Heavy Atoms | 31 |
| Complexity | 534.0 |
Chemical Identifiers
| CAS Number | 73927-53-4 |
|---|---|
| SMILES | CC(CC1=CC(=CC=C1)C(F)(F)F)NCCOC(=O)C2=CC(=C(C(=C2)OC)OC)OC |
| InChIKey | GZHNTHZSWBYEDJ-UHFFFAOYSA-N |
Product Overview
RefChem:340863 (CAS 73927-53-4), with molecular formula C22H26F3NO5 and molecular weight 441.18 g/mol. IUPAC: 2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethyl 3,4,5-trimethoxybenzoate.
Chemical Property Profile of RefChem:340863
Property Insights of RefChem:340863
The XLogP value of 4.5 indicates that RefChem:340863 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:340863. Following Lipinski's Rule of Five, RefChem:340863 has 1 hydrogen bond donor(s) and 9 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 RefChem:340863?
The CAS number of RefChem:340863 is 73927-53-4.
What is the molecular formula of RefChem:340863?
The molecular formula of RefChem:340863 is C22H26F3NO5.
What is the molecular weight of RefChem:340863?
The molecular weight of RefChem:340863 is 441.18 g/mol.
Where can I buy RefChem:340863?
You can request a quote for RefChem:340863 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:340863?
Yes, KEHONG BIO provides custom synthesis services for RefChem:340863 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.