tert-Butyl 2-fluoro-4-(prop-2-yn-1-ylamino)benzoate
TL;DR: tert-Butyl 2-fluoro-4-(prop-2-yn-1-ylamino)benzoate (CAS 140373-03-1) is a chemical compound with molecular formula C14H16FNO2 and molecular weight 249.1165 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl 2-fluoro-4-(prop-2-ynylamino)benzoate
Also Known As: tert-Butyl 2-fluoro-4-(prop-2-yn-1-ylamino)benzoate, Tert-butyl 2-fluoro-4-(prop-2-ynylamino)benzoate
Technical Specifications
| Molecular Formula | C14H16FNO2 |
| Molecular Weight | 249.1165 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 249.1165 Da |
| Heavy Atoms | 18 |
| Complexity | 339.0 |
| SMILES | CC(C)(C)OC(=O)C1=C(C=C(C=C1)NCC#C)F |
| InChIKey | VMVJKDGODBPJJH-UHFFFAOYSA-N |
Chemical Property Profile of tert-Butyl 2-fluoro-4-(prop-2-yn-1-ylamino)benzoate
Property Insights of tert-Butyl 2-fluoro-4-(prop-2-yn-1-ylamino)benzoate
The XLogP value of 3.0 indicates that tert-Butyl 2-fluoro-4-(prop-2-yn-1-ylamino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, tert-Butyl 2-fluoro-4-(prop-2-yn-1-ylamino)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl 2-fluoro-4-(prop-2-yn-1-ylamino)benzoate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of tert-Butyl 2-fluoro-4-(prop-2-yn-1-ylamino)benzoate?
The CAS number of tert-Butyl 2-fluoro-4-(prop-2-yn-1-ylamino)benzoate is 140373-03-1.
What is the molecular formula of tert-Butyl 2-fluoro-4-(prop-2-yn-1-ylamino)benzoate?
The molecular formula of tert-Butyl 2-fluoro-4-(prop-2-yn-1-ylamino)benzoate is C14H16FNO2.
What is the molecular weight of tert-Butyl 2-fluoro-4-(prop-2-yn-1-ylamino)benzoate?
The molecular weight of tert-Butyl 2-fluoro-4-(prop-2-yn-1-ylamino)benzoate is 249.1165 g/mol.
Where can I buy tert-Butyl 2-fluoro-4-(prop-2-yn-1-ylamino)benzoate?
You can request a quote for tert-Butyl 2-fluoro-4-(prop-2-yn-1-ylamino)benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for tert-Butyl 2-fluoro-4-(prop-2-yn-1-ylamino)benzoate?
Yes, CoreyChem provides custom synthesis services for tert-Butyl 2-fluoro-4-(prop-2-yn-1-ylamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.