RefChem:372156
TL;DR: RefChem:372156 (CAS 14715-05-0) is a chemical compound with molecular formula C28H36N2O9 and molecular weight 544.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-[[(1S,2R)-2-benzyl-2,3-dihydro-1H-inden-1-yl]oxy]propyl]-4-methylpiperazine;oxalic acid
Also Known As: trans-1-(3-(4-Methylpiperazino)propoxy)-2-benzylindane dioxalate, trans-1-(3-((2-Benzyl-1-indanyl)oxy)propyl)-4-methyl-piperazine dioxalate, Piperazine, 1-(3-((2-benzyl-1-indanyl)oxy)propyl)-4-methyl-, oxalate (1:2), trans-, 1-[3-[[(1S,2R)-2-benzyl-2,3-dihydro-1H-inden-1-yl]oxy]propyl]-4-methylpiperazine; oxalic acid, Oxalic acid--1-(3-{[(1S,2R)-2-benzyl-2,3-dihydro-1H-inden-1-yl]oxy}propyl)-4-methylpiperazine (2/1)
| Molecular Formula | C28H36N2O9 |
|---|---|
| Molecular Weight | 544.24 g/mol |
| LogP | 2.108 |
| Topological Polar Surface Area | 165.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 544.24207 |
| Heavy Atoms | 39 |
| Complexity | 500.0 |
Chemical Identifiers
| CAS Number | 14715-05-0 |
|---|---|
| SMILES | CN1CCN(CC1)CCCO[C@H]2[C@@H](CC3=CC=CC=C23)CC4=CC=CC=C4.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O |
| InChIKey | QYDYRBGSIUDASC-SYTOWBIOSA-N |
Product Overview
RefChem:372156 (CAS 14715-05-0), with molecular formula C28H36N2O9 and molecular weight 544.24 g/mol. IUPAC: 1-[3-[[(1S,2R)-2-benzyl-2,3-dihydro-1H-inden-1-yl]oxy]propyl]-4-methylpiperazine;oxalic acid.
Chemical Property Profile of RefChem:372156
Property Insights of RefChem:372156
The XLogP value of 2.108 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:372156. The TPSA of 165.0 Ų indicates high polarity, suggesting RefChem:372156 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:372156 has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:372156?
The CAS number of RefChem:372156 is 14715-05-0.
What is the molecular formula of RefChem:372156?
The molecular formula of RefChem:372156 is C28H36N2O9.
What is the molecular weight of RefChem:372156?
The molecular weight of RefChem:372156 is 544.24 g/mol.
Where can I buy RefChem:372156?
You can request a quote for RefChem:372156 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:372156?
Yes, KEHONG BIO provides custom synthesis services for RefChem:372156 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.