TL;DR: 1,6-Bis(4-ethoxyphenyl)-2,5-bis(1-piperidinylmethyl)-1,6-hexanedione dihydrochloride (CAS 136767-11-8) is a chemical compound with molecular formula C34H50Cl2N2O4 and molecular weight 620.31476 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,6-bis(4-ethoxyphenyl)-2,5-bis(piperidin-1-ylmethyl)hexane-1,6-dione;dihydrochloride
Also Known As: 1,6-Bis(4-ethoxyphenyl)-2,5-bis(1-piperidinylmethyl)-1,6-hexanedione dihydrochloride, 1,6-Hexanedione, 1,6-bis(4-ethoxyphenyl)-2,5-bis(1-piperidinylmethyl)-, dihydrochloride, 1,6-bis(4-ethoxyphenyl)-2,5-bis(piperidin-1-ylmethyl)hexane-1,6-dione dihydrochloride, 1,6-bis(4-ethoxyphenyl)-2,5-bis(piperidin-1-ylmethyl)hexane-1,6-dione;dihydrochloride, 1,6-Bis(4-ethoxyphenyl)-2,5-bis[(piperidin-1-yl)methyl]hexane-1,6-dione--hydrogen chloride (1/2)
| Molecular Formula | C34H50Cl2N2O4 |
| Molecular Weight | 620.31476 g/mol |
| XLogP | 7.3776 |
| Topological Polar Surface Area (TPSA) | 59.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 15 |
| Exact Mass | 620.31476 Da |
| Heavy Atoms | 42 |
| Complexity | 670.0 |
| SMILES | CCOC1=CC=C(C=C1)C(=O)C(CCC(CN2CCCCC2)C(=O)C3=CC=C(C=C3)OCC)CN4CCCCC4.Cl.Cl |
| InChIKey | JNUBSFBAWSFVJT-UHFFFAOYSA-N |
The XLogP value of 7.3776 indicates that 1,6-Bis(4-ethoxyphenyl)-2,5-bis(1-piperidinylmethyl)-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, 1,6-Bis(4-ethoxyphenyl)-2,5-bis(1-piperidinylmethyl)-1,6-hexanedione dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,6-Bis(4-ethoxyphenyl)-2,5-bis(1-piperidinylmethyl)-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 1,6-Bis(4-ethoxyphenyl)-2,5-bis(1-piperidinylmethyl)-1,6-hexanedione dihydrochloride is 136767-11-8.
The molecular formula of 1,6-Bis(4-ethoxyphenyl)-2,5-bis(1-piperidinylmethyl)-1,6-hexanedione dihydrochloride is C34H50Cl2N2O4.
The molecular weight of 1,6-Bis(4-ethoxyphenyl)-2,5-bis(1-piperidinylmethyl)-1,6-hexanedione dihydrochloride is 620.31476 g/mol.
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