1-(tert-Butylamino)-3-(2-((4-(dimethylamino)phenyl)ethynyl)-5-fluorophenoxy)propan-2-ol
TL;DR: 1-(tert-Butylamino)-3-(2-((4-(dimethylamino)phenyl)ethynyl)-5-fluorophenoxy)propan-2-ol (CAS 126661-27-6) is a chemical compound with molecular formula C23H29FN2O2 and molecular weight 384.2213 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(tert-butylamino)-3-[2-[2-[4-(dimethylamino)phenyl]ethynyl]-5-fluorophenoxy]propan-2-ol
Also Known As: 1-(tert-Butylamino)-3-(2-((4-(dimethylamino)phenyl)ethynyl)-5-fluorophenoxy)propan-2-ol, 1-(tert-butylamino)-3-(2-{[4-(dimethylamino)phenyl]ethynyl}-5-fluorophenoxy)propan-2-ol, 1-(tert-butylamino)-3-[2-[2-(4-dimethylaminophenyl)ethynyl]-5-fluorophenoxy]propan-2-ol, 1-[2-[2-(4-dimethylaminophenyl)ethynyl]-5-fluoro-phenoxy]-3-(tert-butylamino)propan-2-ol
Technical Specifications
| Molecular Formula | C23H29FN2O2 |
| Molecular Weight | 384.2213 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 44.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 384.2213 Da |
| Heavy Atoms | 28 |
| Complexity | 526.0 |
| SMILES | CC(C)(C)NCC(COC1=C(C=CC(=C1)F)C#CC2=CC=C(C=C2)N(C)C)O |
| InChIKey | QXEQQMKTLQVMJE-UHFFFAOYSA-N |
Chemical Property Profile of 1-(tert-Butylamino)-3-(2-((4-(dimethylamino)phenyl)ethynyl)-5-fluorophenoxy)propan-2-ol
Property Insights of 1-(tert-Butylamino)-3-(2-((4-(dimethylamino)phenyl)ethynyl)-5-fluorophenoxy)propan-2-ol
The XLogP value of 4.1 indicates that 1-(tert-Butylamino)-3-(2-((4-(dimethylamino)phenyl)ethynyl)-5-fluorophenoxy)propan-2-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.7 Ų, 1-(tert-Butylamino)-3-(2-((4-(dimethylamino)phenyl)ethynyl)-5-fluorophenoxy)propan-2-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(tert-Butylamino)-3-(2-((4-(dimethylamino)phenyl)ethynyl)-5-fluorophenoxy)propan-2-ol has 2 hydrogen bond donor(s) and 5 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-(tert-Butylamino)-3-(2-((4-(dimethylamino)phenyl)ethynyl)-5-fluorophenoxy)propan-2-ol?
The CAS number of 1-(tert-Butylamino)-3-(2-((4-(dimethylamino)phenyl)ethynyl)-5-fluorophenoxy)propan-2-ol is 126661-27-6.
What is the molecular formula of 1-(tert-Butylamino)-3-(2-((4-(dimethylamino)phenyl)ethynyl)-5-fluorophenoxy)propan-2-ol?
The molecular formula of 1-(tert-Butylamino)-3-(2-((4-(dimethylamino)phenyl)ethynyl)-5-fluorophenoxy)propan-2-ol is C23H29FN2O2.
What is the molecular weight of 1-(tert-Butylamino)-3-(2-((4-(dimethylamino)phenyl)ethynyl)-5-fluorophenoxy)propan-2-ol?
The molecular weight of 1-(tert-Butylamino)-3-(2-((4-(dimethylamino)phenyl)ethynyl)-5-fluorophenoxy)propan-2-ol is 384.2213 g/mol.
Where can I buy 1-(tert-Butylamino)-3-(2-((4-(dimethylamino)phenyl)ethynyl)-5-fluorophenoxy)propan-2-ol?
You can request a quote for 1-(tert-Butylamino)-3-(2-((4-(dimethylamino)phenyl)ethynyl)-5-fluorophenoxy)propan-2-ol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(tert-Butylamino)-3-(2-((4-(dimethylamino)phenyl)ethynyl)-5-fluorophenoxy)propan-2-ol?
Yes, CoreyChem provides custom synthesis services for 1-(tert-Butylamino)-3-(2-((4-(dimethylamino)phenyl)ethynyl)-5-fluorophenoxy)propan-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.