Efavirenz Impurity 44
TL;DR: Efavirenz Impurity 44 (CAS 154598-58-0) is a chemical compound with molecular formula C13H11ClF3NO and molecular weight 289.04813 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-amino-5-chlorophenyl)-4-cyclopropyl-1,1,1-trifluorobut-3-yn-2-ol
Also Known As: Efavirenz Impurity 44, R-EFAVIRENZ AMINOALCOHOL, 2-(2-amino-5-chlorophenyl)-4-cyclopropyl-1,1,1-trifluorobut-3-yn-2-ol, 2-(2,4-DICHLOROPHENOXY)ETHANOL, 2-Amino-5-chloro-alpha-(2-cyclopropylethynyl)-alpha-(trifluoromethyl)benzenemethanol
Technical Specifications
| Molecular Formula | C13H11ClF3NO |
| Molecular Weight | 289.04813 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 46.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 289.04813 Da |
| Heavy Atoms | 19 |
| Complexity | 409.0 |
| SMILES | C1CC1C#CC(C2=C(C=CC(=C2)Cl)N)(C(F)(F)F)O |
| InChIKey | KEMUGFRERPPUHB-UHFFFAOYSA-N |
Chemical Property Profile of Efavirenz Impurity 44
Property Insights of Efavirenz Impurity 44
The XLogP value of 3.8 indicates that Efavirenz Impurity 44 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.3 Ų, Efavirenz Impurity 44 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Efavirenz Impurity 44 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 Efavirenz Impurity 44?
The CAS number of Efavirenz Impurity 44 is 154598-58-0.
What is the molecular formula of Efavirenz Impurity 44?
The molecular formula of Efavirenz Impurity 44 is C13H11ClF3NO.
What is the molecular weight of Efavirenz Impurity 44?
The molecular weight of Efavirenz Impurity 44 is 289.04813 g/mol.
Where can I buy Efavirenz Impurity 44?
You can request a quote for Efavirenz Impurity 44 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Efavirenz Impurity 44?
Yes, CoreyChem provides custom synthesis services for Efavirenz Impurity 44 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.