TL;DR: 1-Pyrrolidinecarboxylic acid, 1,1-diphenyl-2-propynyl ester (CAS 10473-98-0) is a chemical compound with molecular formula C20H19NO2 and molecular weight 305.14157 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,1-diphenylprop-2-ynyl pyrrolidine-1-carboxylate
Also Known As: 1,1-Diphenyl-2-propynyl 1-pyrrolidinecarboxylate, 1-Pyrrolidinecarboxylic acid, 1,1-diphenyl-2-propynyl ester, 3,3-Diphenyl-3-(pyrrolidine-carbonyloxy)-1-propyne, 1,1-diphenylprop-2-ynyl pyrrolidine-1-carboxylate, 1,1-DIPHENYLPROP-2-YN-1-YL PYRROLIDINE-1-CARBOXYLATE
| Molecular Formula | C20H19NO2 |
| Molecular Weight | 305.14157 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 305.14157 Da |
| Heavy Atoms | 23 |
| Complexity | 428.0 |
| SMILES | C#CC(C1=CC=CC=C1)(C2=CC=CC=C2)OC(=O)N3CCCC3 |
| InChIKey | ZHSHJLWPFVGONC-UHFFFAOYSA-N |
The XLogP value of 3.9 indicates that 1-Pyrrolidinecarboxylic acid, 1,1-diphenyl-2-propynyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 1-Pyrrolidinecarboxylic acid, 1,1-diphenyl-2-propynyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Pyrrolidinecarboxylic acid, 1,1-diphenyl-2-propynyl ester has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-Pyrrolidinecarboxylic acid, 1,1-diphenyl-2-propynyl ester is 10473-98-0.
The molecular formula of 1-Pyrrolidinecarboxylic acid, 1,1-diphenyl-2-propynyl ester is C20H19NO2.
The molecular weight of 1-Pyrrolidinecarboxylic acid, 1,1-diphenyl-2-propynyl ester is 305.14157 g/mol.
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