TL;DR: Ethanol, 2-chloro-, ester with boric acid (H3BO3) (3:1) (CAS 22238-19-3) is a chemical compound with molecular formula C6H12BCl3O3 and molecular weight 247.9945 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tris(2-chloroethyl) borate
Also Known As: Tris(2-chloroethyl) borate, Tri-sec-butoxyborane, Tris(2-chloroethoxy)borane, Tris(beta-chloroethyl)borate, tris(2-chloroethyl)borate
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C6H12BCl3O3 |
| Molecular Weight | 247.9945 g/mol |
| XLogP | 1.74 |
| Topological Polar Surface Area (TPSA) | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 247.9945 Da |
| Heavy Atoms | 13 |
| Complexity | 90.0 |
| SMILES | B(OCCCl)(OCCCl)OCCCl |
| InChIKey | ROPXAMHYCWOOOJ-UHFFFAOYSA-N |
The XLogP value of 1.74 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanol, 2-chloro-, ester with boric acid (H3BO3) (3:1). With a topological polar surface area (TPSA) of 27.7 Ų, Ethanol, 2-chloro-, ester with boric acid (H3BO3) (3:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanol, 2-chloro-, ester with boric acid (H3BO3) (3:1) has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Ethanol, 2-chloro-, ester with boric acid (H3BO3) (3:1) is 22238-19-3.
The molecular formula of Ethanol, 2-chloro-, ester with boric acid (H3BO3) (3:1) is C6H12BCl3O3.
The molecular weight of Ethanol, 2-chloro-, ester with boric acid (H3BO3) (3:1) is 247.9945 g/mol.
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