TL;DR: Bulan (CAS 117-26-0) is a chemical compound with molecular formula C16H15Cl2NO2 and molecular weight 323.04797 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
丁乐
1-chloro-4-[1-(4-chlorophenyl)-2-nitrobutyl]benzene
Also Known As: BULAN, Caswell No. 092A, BULAN [HSDB], BULAN [MI], CS 674A
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C16H15Cl2NO2 |
| Molecular Weight | 323.04797 g/mol |
| XLogP | 5.8 |
| Topological Polar Surface Area (TPSA) | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 323.04797 Da |
| Heavy Atoms | 21 |
| Complexity | 310.0 |
| Vapor Pressure | 0.00000055 [mmHg] |
| Solubility | Insoluble in water |
| SMILES | CCC(C(C1=CC=C(C=C1)Cl)C2=CC=C(C=C2)Cl)[N+](=O)[O-] |
| InChIKey | SXLBEAVIHFLZQB-UHFFFAOYSA-N |
The XLogP value of 5.8 indicates that Bulan is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, Bulan exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bulan has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Bulan is 117-26-0.
The molecular formula of Bulan is C16H15Cl2NO2.
The molecular weight of Bulan is 323.04797 g/mol.
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