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RefChem:341071 structure
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RefChem:341071

TL;DR: RefChem:341071 (CAS 87049-29-4) is a chemical compound with molecular formula C36H46N2O7 and molecular weight 618.3305 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

1-[2,6-bis[2-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propoxy]phenyl]ethanone

Also Known As: 1-(2,6-Bis(2-hydroxy-3-(4-hydroxy-4-phenyl-1-piperidinyl)propoxy)phenyl)ethanone, Ethanone, 1-(2,6-bis(2-hydroxy-3-(4-hydroxy-4-phenyl-1-piperidinyl)propoxy)phenyl)-, 1-[2,6-bis[2-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propoxy]phenyl]ethanone, 1-{2,6-Bis[2-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propoxy]phenyl}ethan-1-one, BRN 4628152

CAS Number
87049-29-4
Molecular Formula
C36H46N2O7
Molecular Weight
618.3305 g/mol
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Technical Specifications

Molecular FormulaC36H46N2O7
Molecular Weight618.3305 g/mol
XLogP2.7
Topological Polar Surface Area (TPSA)123.0 Ų
Hydrogen Bond Donors4
Hydrogen Bond Acceptors9
Rotatable Bonds13
Exact Mass618.3305 Da
Heavy Atoms45
Complexity828.0
SMILESCC(=O)C1=C(C=CC=C1OCC(CN2CCC(CC2)(C3=CC=CC=C3)O)O)OCC(CN4CCC(CC4)(C5=CC=CC=C5)O)O
InChIKeySGINKSRVTMZODA-UHFFFAOYSA-N

Chemical Property Profile of RefChem:341071

XLogP
2.7
TPSA (Topological Polar Surface Area)
123.0
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
9
Rotatable Bonds
13
Heavy Atoms
45
Complexity
828.0
Exact Mass
618.3305
Monoisotopic Mass
618.3305
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 RefChem:341071

The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:341071. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:341071. Following Lipinski's Rule of Five, RefChem:341071 has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the CAS number of RefChem:341071?

The CAS number of RefChem:341071 is 87049-29-4.

What is the molecular formula of RefChem:341071?

The molecular formula of RefChem:341071 is C36H46N2O7.

What is the molecular weight of RefChem:341071?

The molecular weight of RefChem:341071 is 618.3305 g/mol.

Where can I buy RefChem:341071?

You can request a quote for RefChem:341071 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for RefChem:341071?

Yes, CoreyChem provides custom synthesis services for RefChem:341071 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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