RefChem:341053
TL;DR: RefChem:341053 (CAS 87049-28-3) is a chemical compound with molecular formula C36H48Cl2N2O7 and molecular weight 690.2839 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2,5-bis[2-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-ium-1-yl)propoxy]phenyl]ethanone dichloride
Also Known As: 1-(2,5-Bis(2-hydroxy-3-(4-hydroxy-4-phenyl-1-piperidinyl)propoxy)phenyl)ethanone 2HCl, Ethanone, 1-(2,5-bis(2-hydroxy-3-(4-hydroxy-4-phenyl-1-piperidinyl)propoxy)phenyl)-, dihydrochloride, 1-[2,5-bis[2-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-ium-1-yl)propoxy]phenyl]ethanone dichloride, ETHANONE, 1-(2,5-BIS(2-HYDROXY-3-(4-HYDROXY-4-PHENYL-1-PIPERIDINYL)PROPOXY)PHENY
Technical Specifications
| Molecular Formula | C36H48Cl2N2O7 |
| Molecular Weight | 690.2839 g/mol |
| XLogP | -5.49 |
| Topological Polar Surface Area (TPSA) | 125.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 13 |
| Exact Mass | 690.2839 Da |
| Heavy Atoms | 47 |
| Complexity | 892.0 |
| SMILES | CC(=O)C1=C(C=CC(=C1)OCC(C[NH+]2CCC(CC2)(C3=CC=CC=C3)O)O)OCC(C[NH+]4CCC(CC4)(C5=CC=CC=C5)O)O.[Cl-].[Cl-] |
| InChIKey | GXPNFROHEOLVAO-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:341053
Property Insights of RefChem:341053
The XLogP value of -5.49 indicates that RefChem:341053 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:341053. Following Lipinski's Rule of Five, RefChem:341053 has 6 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:341053?
The CAS number of RefChem:341053 is 87049-28-3.
What is the molecular formula of RefChem:341053?
The molecular formula of RefChem:341053 is C36H48Cl2N2O7.
What is the molecular weight of RefChem:341053?
The molecular weight of RefChem:341053 is 690.2839 g/mol.
Where can I buy RefChem:341053?
You can request a quote for RefChem:341053 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:341053?
Yes, CoreyChem provides custom synthesis services for RefChem:341053 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.