TL;DR: Procaine Borate (CAS 149-13-3) is a chemical compound with molecular formula C13H25B5N2O12 and molecular weight 456.1873 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
硼酸普鲁卡因
2-(diethylamino)ethyl 4-aminobenzoate;oxoborinic acid
Also Known As: Procaine borate, Procaine borate [NF], Vitamin H3 borate, 2-(Diethylamino)ethyl p-aminobenzoate borate (1:5), boric acid;2-(diethylamino)ethyl 4-aminobenzoate
| Molecular Formula | C13H25B5N2O12 |
| Molecular Weight | 456.1873 g/mol |
| XLogP | -3.52 |
| Topological Polar Surface Area (TPSA) | 242.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 7 |
| Exact Mass | 455.19092 Da |
| Heavy Atoms | 32 |
| Complexity | 232.0 |
| SMILES | B(=O)O.B(=O)O.B(=O)O.B(=O)O.B(=O)O.CCN(CC)CCOC(=O)C1=CC=C(C=C1)N |
| InChIKey | GTQXPCWVIUCJCK-UHFFFAOYSA-N |
The XLogP value of -3.52 indicates that Procaine Borate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 242.0 Ų indicates high polarity, suggesting Procaine Borate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Procaine Borate has 6 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Procaine Borate is 149-13-3.
The molecular formula of Procaine Borate is C13H25B5N2O12.
The molecular weight of Procaine Borate is 456.1873 g/mol.
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