TL;DR: 2-((Tert-butoxycarbonyl)amino)-2-(4-(difluoromethoxy)phenyl)acetic acid (CAS 153694-34-9) is a chemical compound with molecular formula C14H17F2NO5 and molecular weight 317.10748 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-(difluoromethoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
Also Known As: 2-((TERT-BUTOXYCARBONYL)AMINO)-2-(4-(DIFLUOROMETHOXY)PHENYL)ACETIC ACID, 2-[4-(difluoromethoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic Acid, C92754
| Molecular Formula | C14H17F2NO5 |
| Molecular Weight | 317.10748 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 84.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 317.10748 Da |
| Heavy Atoms | 22 |
| Complexity | 389.0 |
| SMILES | CC(C)(C)OC(=O)NC(C1=CC=C(C=C1)OC(F)F)C(=O)O |
| InChIKey | POXIKERALCTTLJ-UHFFFAOYSA-N |
The XLogP value of 3.1 indicates that 2-((Tert-butoxycarbonyl)amino)-2-(4-(difluoromethoxy)phenyl)acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((Tert-butoxycarbonyl)amino)-2-(4-(difluoromethoxy)phenyl)acetic acid. Following Lipinski's Rule of Five, 2-((Tert-butoxycarbonyl)amino)-2-(4-(difluoromethoxy)phenyl)acetic acid has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-((Tert-butoxycarbonyl)amino)-2-(4-(difluoromethoxy)phenyl)acetic acid is 153694-34-9.
The molecular formula of 2-((Tert-butoxycarbonyl)amino)-2-(4-(difluoromethoxy)phenyl)acetic acid is C14H17F2NO5.
The molecular weight of 2-((Tert-butoxycarbonyl)amino)-2-(4-(difluoromethoxy)phenyl)acetic acid is 317.10748 g/mol.
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