TL;DR: Bortezomib (CAS 1133706-15-6) is a chemical compound with molecular formula C19H25BN4O4 and molecular weight 384.1969 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-methyl-1-[[3-phenyl-2-(pyrazine-2-carbonylamino)propanoyl]amino]butyl]boronic acid
Also Known As: Bortezomib, (1S,2R)-Bortezomib, (1S,2S)-Bortezomib, Bortezomib Impurity Ps619, Bortezomib Impurity (R,S-Isomer)
| Molecular Formula | C19H25BN4O4 |
| Molecular Weight | 384.1969 g/mol |
| XLogP | 0.3606 |
| Topological Polar Surface Area (TPSA) | 124.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 384.1969 Da |
| Heavy Atoms | 28 |
| Complexity | 500.0 |
| SMILES | B(C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O |
| InChIKey | GXJABQQUPOEUTA-UHFFFAOYSA-N |
The XLogP value of 0.3606 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bortezomib. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Bortezomib. Following Lipinski's Rule of Five, Bortezomib has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Bortezomib is 1133706-15-6.
The molecular formula of Bortezomib is C19H25BN4O4.
The molecular weight of Bortezomib is 384.1969 g/mol.
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