1-(2-((4-(Dimethylamino)-m-tolyl)ethynyl)phenoxy)-3-(t-butylamino)-2-propanol fumarate
TL;DR: 1-(2-((4-(Dimethylamino)-m-tolyl)ethynyl)phenoxy)-3-(t-butylamino)-2-propanol fumarate (CAS 126661-30-1) is a chemical compound with molecular formula C28H36N2O6 and molecular weight 496.25732 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-but-2-enedioic acid;1-(tert-butylamino)-3-[2-[2-[4-(dimethylamino)-3-methylphenyl]ethynyl]phenoxy]propan-2-ol
Also Known As: 1-(2-((4-(Dimethylamino)-m-tolyl)ethynyl)phenoxy)-3-(t-butylamino)-2-propanol fumarate, 2-Propanol, 1-(2-((4-(dimethylamino)-3-methylphenyl)ethynyl)phenoxy)-3-((1,1-dimethylethyl)amino)-, (E)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 1-(tert-butylamino)-3-[2-[2-[4-(dimethylamino)-3-methylphenyl]ethynyl]phenoxy]propan-2-ol
Technical Specifications
| Molecular Formula | C28H36N2O6 |
| Molecular Weight | 496.25732 g/mol |
| XLogP | 3.30042 |
| Topological Polar Surface Area (TPSA) | 119.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 496.25732 Da |
| Heavy Atoms | 36 |
| Complexity | 647.0 |
| SMILES | CC1=C(C=CC(=C1)C#CC2=CC=CC=C2OCC(CNC(C)(C)C)O)N(C)C.C(=C/C(=O)O)\C(=O)O |
| InChIKey | VAGGYXUWNURNOZ-WLHGVMLRSA-N |
Chemical Property Profile of 1-(2-((4-(Dimethylamino)-m-tolyl)ethynyl)phenoxy)-3-(t-butylamino)-2-propanol fumarate
Property Insights of 1-(2-((4-(Dimethylamino)-m-tolyl)ethynyl)phenoxy)-3-(t-butylamino)-2-propanol fumarate
The XLogP value of 3.30042 indicates that 1-(2-((4-(Dimethylamino)-m-tolyl)ethynyl)phenoxy)-3-(t-butylamino)-2-propanol fumarate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-((4-(Dimethylamino)-m-tolyl)ethynyl)phenoxy)-3-(t-butylamino)-2-propanol fumarate. Following Lipinski's Rule of Five, 1-(2-((4-(Dimethylamino)-m-tolyl)ethynyl)phenoxy)-3-(t-butylamino)-2-propanol fumarate has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(2-((4-(Dimethylamino)-m-tolyl)ethynyl)phenoxy)-3-(t-butylamino)-2-propanol fumarate?
The CAS number of 1-(2-((4-(Dimethylamino)-m-tolyl)ethynyl)phenoxy)-3-(t-butylamino)-2-propanol fumarate is 126661-30-1.
What is the molecular formula of 1-(2-((4-(Dimethylamino)-m-tolyl)ethynyl)phenoxy)-3-(t-butylamino)-2-propanol fumarate?
The molecular formula of 1-(2-((4-(Dimethylamino)-m-tolyl)ethynyl)phenoxy)-3-(t-butylamino)-2-propanol fumarate is C28H36N2O6.
What is the molecular weight of 1-(2-((4-(Dimethylamino)-m-tolyl)ethynyl)phenoxy)-3-(t-butylamino)-2-propanol fumarate?
The molecular weight of 1-(2-((4-(Dimethylamino)-m-tolyl)ethynyl)phenoxy)-3-(t-butylamino)-2-propanol fumarate is 496.25732 g/mol.
Where can I buy 1-(2-((4-(Dimethylamino)-m-tolyl)ethynyl)phenoxy)-3-(t-butylamino)-2-propanol fumarate?
You can request a quote for 1-(2-((4-(Dimethylamino)-m-tolyl)ethynyl)phenoxy)-3-(t-butylamino)-2-propanol fumarate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(2-((4-(Dimethylamino)-m-tolyl)ethynyl)phenoxy)-3-(t-butylamino)-2-propanol fumarate?
Yes, CoreyChem provides custom synthesis services for 1-(2-((4-(Dimethylamino)-m-tolyl)ethynyl)phenoxy)-3-(t-butylamino)-2-propanol fumarate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.