RefChem:341023
TL;DR: RefChem:341023 (CAS 87049-27-2) is a chemical compound with molecular formula C36H46N2O7 and molecular weight 618.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2,4-bis[2-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propoxy]phenyl]ethanone
Also Known As: 1-(2,4-Bis(2-hydroxy-3-(4-hydroxy-4-phenyl-1-piperidinyl)propoxy)phenyl)ethanone, Ethanone, 1-(2,4-bis(2-hydroxy-3-(4-hydroxy-4-phenyl-1-piperidinyl)propoxy)phenyl)-, 1-[2,4-bis[2-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propoxy]phenyl]ethanone, 1-{2,4-Bis[2-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propoxy]phenyl}ethan-1-one, BRN 4628177
| Molecular Formula | C36H46N2O7 |
|---|---|
| Molecular Weight | 618.33 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 13 |
| Exact Mass | 618.3305 |
| Heavy Atoms | 45 |
| Complexity | 892.0 |
Chemical Identifiers
| CAS Number | 87049-27-2 |
|---|---|
| SMILES | CC(=O)C1=C(C=C(C=C1)OCC(CN2CCC(CC2)(C3=CC=CC=C3)O)O)OCC(CN4CCC(CC4)(C5=CC=CC=C5)O)O |
| InChIKey | OIQCVFZTONBNGP-UHFFFAOYSA-N |
Product Overview
RefChem:341023 (CAS 87049-27-2), with molecular formula C36H46N2O7 and molecular weight 618.33 g/mol. IUPAC: 1-[2,4-bis[2-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propoxy]phenyl]ethanone.
Chemical Property Profile of RefChem:341023
Property Insights of RefChem:341023
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:341023. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:341023. Following Lipinski's Rule of Five, RefChem:341023 has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:341023?
The CAS number of RefChem:341023 is 87049-27-2.
What is the molecular formula of RefChem:341023?
The molecular formula of RefChem:341023 is C36H46N2O7.
What is the molecular weight of RefChem:341023?
The molecular weight of RefChem:341023 is 618.33 g/mol.
Where can I buy RefChem:341023?
You can request a quote for RefChem:341023 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:341023?
Yes, KEHONG BIO provides custom synthesis services for RefChem:341023 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.