Phenol, 3-(alpha-(2-(dimethylamino)ethoxy)benzyl)-4-methyl-, fumarate
TL;DR: Phenol, 3-(alpha-(2-(dimethylamino)ethoxy)benzyl)-4-methyl-, fumarate (CAS 101952-87-8) is a chemical compound with molecular formula C22H27NO6 and molecular weight 401.18384 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-but-2-enedioic acid;3-[2-(dimethylamino)ethoxy-phenylmethyl]-4-methylphenol
Also Known As: C18H23NO2.1/2C4H4O4, 3-(alpha-(2-(Dimethylamino)ethoxy)benzyl)-4-methylphenol fumarate, C18-H23-N-O2.1/2C4-H4-O4, Phenol, 3-(alpha-(2-(dimethylamino)ethoxy)benzyl)-4-methyl-, fumarate, N,N-Dimethyl-2-(alpha-(2-(5-hydroxy)tolylbenzyl)oxy)ethylamine fumarate
Technical Specifications
| Molecular Formula | C22H27NO6 |
| Molecular Weight | 401.18384 g/mol |
| XLogP | 3.08002 |
| Topological Polar Surface Area (TPSA) | 107.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 401.18384 Da |
| Heavy Atoms | 29 |
| Complexity | 408.0 |
| SMILES | CC1=C(C=C(C=C1)O)C(C2=CC=CC=C2)OCCN(C)C.C(=C/C(=O)O)\C(=O)O |
| InChIKey | KFWIVGCUQUUAQD-WLHGVMLRSA-N |
Chemical Property Profile of Phenol, 3-(alpha-(2-(dimethylamino)ethoxy)benzyl)-4-methyl-, fumarate
Property Insights of Phenol, 3-(alpha-(2-(dimethylamino)ethoxy)benzyl)-4-methyl-, fumarate
The XLogP value of 3.08002 indicates that Phenol, 3-(alpha-(2-(dimethylamino)ethoxy)benzyl)-4-methyl-, fumarate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenol, 3-(alpha-(2-(dimethylamino)ethoxy)benzyl)-4-methyl-, fumarate. Following Lipinski's Rule of Five, Phenol, 3-(alpha-(2-(dimethylamino)ethoxy)benzyl)-4-methyl-, fumarate has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Phenol, 3-(alpha-(2-(dimethylamino)ethoxy)benzyl)-4-methyl-, fumarate?
The CAS number of Phenol, 3-(alpha-(2-(dimethylamino)ethoxy)benzyl)-4-methyl-, fumarate is 101952-87-8.
What is the molecular formula of Phenol, 3-(alpha-(2-(dimethylamino)ethoxy)benzyl)-4-methyl-, fumarate?
The molecular formula of Phenol, 3-(alpha-(2-(dimethylamino)ethoxy)benzyl)-4-methyl-, fumarate is C22H27NO6.
What is the molecular weight of Phenol, 3-(alpha-(2-(dimethylamino)ethoxy)benzyl)-4-methyl-, fumarate?
The molecular weight of Phenol, 3-(alpha-(2-(dimethylamino)ethoxy)benzyl)-4-methyl-, fumarate is 401.18384 g/mol.
Where can I buy Phenol, 3-(alpha-(2-(dimethylamino)ethoxy)benzyl)-4-methyl-, fumarate?
You can request a quote for Phenol, 3-(alpha-(2-(dimethylamino)ethoxy)benzyl)-4-methyl-, fumarate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phenol, 3-(alpha-(2-(dimethylamino)ethoxy)benzyl)-4-methyl-, fumarate?
Yes, CoreyChem provides custom synthesis services for Phenol, 3-(alpha-(2-(dimethylamino)ethoxy)benzyl)-4-methyl-, fumarate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.