F0601-0017
TL;DR: F0601-0017 (CAS 851080-80-3) is a chemical compound with molecular formula C18H23FN4O3S and molecular weight 394.1475 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[[4-butyl-5-[[(2-fluorobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: F0601-0017, ethyl 2-[(4-butyl-5-{[(2-fluorophenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetate, ethyl 2-((4-butyl-5-((2-fluorobenzamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetate, ethyl 2-[[4-butyl-5-[[(2-fluorobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate
Technical Specifications
| Molecular Formula | C18H23FN4O3S |
| Molecular Weight | 394.1475 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 111.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 394.1475 Da |
| Heavy Atoms | 27 |
| Complexity | 486.0 |
| SMILES | CCCCN1C(=NN=C1SCC(=O)OCC)CNC(=O)C2=CC=CC=C2F |
| InChIKey | AIWGIIMPOYDHPF-UHFFFAOYSA-N |
Chemical Property Profile of F0601-0017
Property Insights of F0601-0017
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0601-0017. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for F0601-0017. Following Lipinski's Rule of Five, F0601-0017 has 1 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 F0601-0017?
The CAS number of F0601-0017 is 851080-80-3.
What is the molecular formula of F0601-0017?
The molecular formula of F0601-0017 is C18H23FN4O3S.
What is the molecular weight of F0601-0017?
The molecular weight of F0601-0017 is 394.1475 g/mol.
Where can I buy F0601-0017?
You can request a quote for F0601-0017 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for F0601-0017?
Yes, CoreyChem provides custom synthesis services for F0601-0017 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.