TL;DR: Borane, tris(1-methylpropyl)- (CAS 1113-78-6) is a chemical compound with molecular formula C12H27B and molecular weight 182.22058 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tri(butan-2-yl)borane
Also Known As: Tri-sec-butylborane, tri(butan-2-yl)borane, trisec-butylborane, Tris(1-methylpropyl)borane, tri-sec-butylboron
Top 5 of 15 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C12H27B |
| Molecular Weight | 182.22058 g/mol |
| XLogP | 4.88 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 6 |
| Exact Mass | 182.22058 Da |
| Heavy Atoms | 13 |
| Complexity | 98.0 |
| SMILES | B(C(C)CC)(C(C)CC)C(C)CC |
| InChIKey | YUPAWYWJNZDARM-UHFFFAOYSA-N |
The XLogP value of 4.88 indicates that Borane, tris(1-methylpropyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Borane, tris(1-methylpropyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Borane, tris(1-methylpropyl)- has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Borane, tris(1-methylpropyl)- is 1113-78-6.
The molecular formula of Borane, tris(1-methylpropyl)- is C12H27B.
The molecular weight of Borane, tris(1-methylpropyl)- is 182.22058 g/mol.
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