TL;DR: 2,5-Bis(1-piperidinylmethyl)-1,6-bis(4-propoxyphenyl)-1,6-hexanedione dihydrochloride (CAS 136767-12-9) is a chemical compound with molecular formula C36H54Cl2N2O4 and molecular weight 648.34607 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,5-bis(piperidin-1-ylmethyl)-1,6-bis(4-propoxyphenyl)hexane-1,6-dione;dihydrochloride
Also Known As: 2,5-Bis(1-piperidinylmethyl)-1,6-bis(4-propoxyphenyl)-1,6-hexanedione dihydrochloride, 1,6-Hexanedione, 2,5-bis(1-piperidinylmethyl)-1,6-bis(4-propoxyphenyl)-, dihydrochloride, 2,5-bis(piperidin-1-ylmethyl)-1,6-bis(4-propoxyphenyl)hexane-1,6-dione;dihydrochloride, 2,5-bis(piperidin-1-ylmethyl)-1,6-bis(4-propoxyphenyl)hexane-1,6-dione dihydrochloride, 2,5-Bis[(piperidin-1-yl)methyl]-1,6-bis(4-propoxyphenyl)hexane-1,6-dione--hydrogen chloride (1/2)
| Molecular Formula | C36H54Cl2N2O4 |
| Molecular Weight | 648.34607 g/mol |
| XLogP | 8.1578 |
| Topological Polar Surface Area (TPSA) | 59.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 17 |
| Exact Mass | 648.34607 Da |
| Heavy Atoms | 44 |
| Complexity | 698.0 |
| SMILES | CCCOC1=CC=C(C=C1)C(=O)C(CCC(CN2CCCCC2)C(=O)C3=CC=C(C=C3)OCCC)CN4CCCCC4.Cl.Cl |
| InChIKey | BBLCWMCYILUVAQ-UHFFFAOYSA-N |
The XLogP value of 8.1578 indicates that 2,5-Bis(1-piperidinylmethyl)-1,6-bis(4-propoxyphenyl)-1,6-hexanedione dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.1 Ų, 2,5-Bis(1-piperidinylmethyl)-1,6-bis(4-propoxyphenyl)-1,6-hexanedione dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Bis(1-piperidinylmethyl)-1,6-bis(4-propoxyphenyl)-1,6-hexanedione dihydrochloride has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2,5-Bis(1-piperidinylmethyl)-1,6-bis(4-propoxyphenyl)-1,6-hexanedione dihydrochloride is 136767-12-9.
The molecular formula of 2,5-Bis(1-piperidinylmethyl)-1,6-bis(4-propoxyphenyl)-1,6-hexanedione dihydrochloride is C36H54Cl2N2O4.
The molecular weight of 2,5-Bis(1-piperidinylmethyl)-1,6-bis(4-propoxyphenyl)-1,6-hexanedione dihydrochloride is 648.34607 g/mol.
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