TL;DR: RefChem:105556 (CAS 51936-55-1) is a chemical compound with molecular formula C13H12Br2Cl6 and molecular weight 535.7437 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5,6-dibromo-1,10,11,12,13,13-hexachlorotricyclo[8.2.1.02,9]tridec-11-ene
Also Known As: 7,8-Dibromo-1,2,3,4,11,11-hexachloro-1,4,4a,5,6,7,8,9,10,10a-decahydro-1,4-methanobenzocyclooctene, N-Glutaryl-L-phenylalanine p-nitroanilide, Hexachlorocyclopantadienyl-dibromocyclooctane, MSK166593-100T, MSK166593-1000T
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C13H12Br2Cl6 |
| Molecular Weight | 535.7437 g/mol |
| XLogP | 6.4 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 539.7387 Da |
| Heavy Atoms | 21 |
| Complexity | 467.0 |
| SMILES | C1CC(C(CCC2C1C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl)Br)Br |
| InChIKey | XRFONNJUMOCNHA-UHFFFAOYSA-N |
The XLogP value of 6.4 indicates that RefChem:105556 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, RefChem:105556 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:105556 has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of RefChem:105556 is 51936-55-1.
The molecular formula of RefChem:105556 is C13H12Br2Cl6.
The molecular weight of RefChem:105556 is 535.7437 g/mol.
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