TL;DR: methyl (2E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoate (CAS 125160-21-6) is a chemical compound with molecular formula C10H17BO4 and molecular weight 212.122 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoate
Also Known As: Cobalt,compound with praseodymium (7:2), (E)-methyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)acrylate, J1.380.443E, methyl (2E)-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoate, METHYL (E)-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)ACRYLATE
| Molecular Formula | C10H17BO4 |
| Molecular Weight | 212.122 g/mol |
| XLogP | 1.347 |
| Topological Polar Surface Area (TPSA) | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 212.122 Da |
| Heavy Atoms | 15 |
| Complexity | 267.0 |
| SMILES | B1(OC(C(O1)(C)C)(C)C)/C=C/C(=O)OC |
| InChIKey | YRXVNAIOQAUBNO-VOTSOKGWSA-N |
The XLogP value of 1.347 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (2E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoate. With a topological polar surface area (TPSA) of 44.8 Ų, methyl (2E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl (2E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of methyl (2E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoate is 125160-21-6.
The molecular formula of methyl (2E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoate is C10H17BO4.
The molecular weight of methyl (2E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoate is 212.122 g/mol.
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