TL;DR: RefChem:292992 (CAS 101913-78-4) is a chemical compound with molecular formula C10H8Cl4F8O3 and molecular weight 467.90997 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,7-dichloro-2,6-bis[chloro(difluoro)methyl]-1,1,7,7-tetrafluoro-2,6-dihydroxy-3-methylheptan-4-one
Also Known As: 1,7-dichloro-2,6-bis[chloro(difluoro)methyl]-1,1,7,7-tetrafluoro-2,6-dihydroxy-3-methylheptan-4-one, 1,7-Dichloro-2,6-bis(chlorodifluoromethyl)-1,1,7,7-tetrafluoro-2,6-dihydroxy-3-methyl-4-heptanone, 4-Heptanone, 2,6-bis(chlorodifluoromethly)-1,7-dichloro-2,6-dihydroxy-3-methyl-1,1,7,7-tetrafluoro-, 4-HEPTANONE, 2,6-BIS(CHLORODIFLUOROMETHLY)-1,7-DICHLORO-2,6-DIHYDROXY-3-METHYL-1, 1,7-dichloro-2,6-bis(chlorodifluoromethyl)-1,1,7,7-tetrafluoro-2,6-dihydroxy-3-methylheptan-4-one
| Molecular Formula | C10H8Cl4F8O3 |
| Molecular Weight | 467.90997 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 469.90704 Da |
| Heavy Atoms | 25 |
| Complexity | 502.0 |
| SMILES | CC(C(=O)CC(C(F)(F)Cl)(C(F)(F)Cl)O)C(C(F)(F)Cl)(C(F)(F)Cl)O |
| InChIKey | KCIDOOFWLXHRKV-UHFFFAOYSA-N |
The XLogP value of 4.2 indicates that RefChem:292992 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, RefChem:292992 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:292992 has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of RefChem:292992 is 101913-78-4.
The molecular formula of RefChem:292992 is C10H8Cl4F8O3.
The molecular weight of RefChem:292992 is 467.90997 g/mol.
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