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2,5-Bis(1-piperidinylmethyl)-1,6-bis(4-propoxyphenyl)-1,6-hexanedione dihydrochloride structure
Fine Chemical

2,5-Bis(1-piperidinylmethyl)-1,6-bis(4-propoxyphenyl)-1,6-hexanedione dihydrochloride

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)

CAS Number
136767-12-9
Molecular Formula
C36H54Cl2N2O4
Molecular Weight
648.34607 g/mol
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Technical Specifications

Molecular FormulaC36H54Cl2N2O4
Molecular Weight648.34607 g/mol
XLogP8.1578
Topological Polar Surface Area (TPSA)59.1 Ų
Hydrogen Bond Donors2
Hydrogen Bond Acceptors6
Rotatable Bonds17
Exact Mass648.34607 Da
Heavy Atoms44
Complexity698.0
SMILESCCCOC1=CC=C(C=C1)C(=O)C(CCC(CN2CCCCC2)C(=O)C3=CC=C(C=C3)OCCC)CN4CCCCC4.Cl.Cl
InChIKeyBBLCWMCYILUVAQ-UHFFFAOYSA-N

Chemical Property Profile of 2,5-Bis(1-piperidinylmethyl)-1,6-bis(4-propoxyphenyl)-1,6-hexanedione dihydrochloride

XLogP
8.1578
TPSA (Topological Polar Surface Area)
59.1
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
6
Rotatable Bonds
17
Heavy Atoms
44
Complexity
698.0
Exact Mass
648.34607
Monoisotopic Mass
648.34607
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of 2,5-Bis(1-piperidinylmethyl)-1,6-bis(4-propoxyphenyl)-1,6-hexanedione dihydrochloride

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.

Frequently Asked Questions

What is the CAS number of 2,5-Bis(1-piperidinylmethyl)-1,6-bis(4-propoxyphenyl)-1,6-hexanedione dihydrochloride?

The CAS number of 2,5-Bis(1-piperidinylmethyl)-1,6-bis(4-propoxyphenyl)-1,6-hexanedione dihydrochloride is 136767-12-9.

What is the molecular formula of 2,5-Bis(1-piperidinylmethyl)-1,6-bis(4-propoxyphenyl)-1,6-hexanedione dihydrochloride?

The molecular formula of 2,5-Bis(1-piperidinylmethyl)-1,6-bis(4-propoxyphenyl)-1,6-hexanedione dihydrochloride is C36H54Cl2N2O4.

What is the molecular weight of 2,5-Bis(1-piperidinylmethyl)-1,6-bis(4-propoxyphenyl)-1,6-hexanedione dihydrochloride?

The molecular weight of 2,5-Bis(1-piperidinylmethyl)-1,6-bis(4-propoxyphenyl)-1,6-hexanedione dihydrochloride is 648.34607 g/mol.

Where can I buy 2,5-Bis(1-piperidinylmethyl)-1,6-bis(4-propoxyphenyl)-1,6-hexanedione dihydrochloride?

You can request a quote for 2,5-Bis(1-piperidinylmethyl)-1,6-bis(4-propoxyphenyl)-1,6-hexanedione dihydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 2,5-Bis(1-piperidinylmethyl)-1,6-bis(4-propoxyphenyl)-1,6-hexanedione dihydrochloride?

Yes, CoreyChem provides custom synthesis services for 2,5-Bis(1-piperidinylmethyl)-1,6-bis(4-propoxyphenyl)-1,6-hexanedione dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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