RefChem:1056606
TL;DR: RefChem:1056606 (CAS 55020-31-0) is a chemical compound with molecular formula C30H36N2O9 and molecular weight 568.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-benzylpiperazin-1-yl)-1-(2,3-dihydro-1H-inden-5-yl)ethanol;bis((Z)-but-2-enedioic acid)
Also Known As: alpha-(2,3-Dihydro-1H-inden-5-yl)-4-(phenylmethyl)-1-piperazineethanol dimaleate, 1-Piperazineethanol, alpha-(2,3-dihydro-1H-inden-5-yl)-4-(phenylmethyl)-, (Z)-2-butenedioate (1:2), 2-(4-benzylpiperazin-1-yl)-1-(2,3-dihydro-1H-inden-5-yl)ethanol; (Z)-but-2-enedioic acid, RefChem:1056606
| Molecular Formula | C30H36N2O9 |
|---|---|
| Molecular Weight | 568.24 g/mol |
| LogP | 2.4501 |
| Topological Polar Surface Area | 175.91 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 568.24207 |
| Heavy Atoms | 41 |
| Complexity | 1153.7227 |
Chemical Identifiers
| CAS Number | 55020-31-0 |
|---|---|
| SMILES | C1CC2=C(C1)C=CC(=C2)C(O)CN3CCN(CC3)CC4=CC=CC=C4.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O |
Product Overview
RefChem:1056606 (CAS 55020-31-0), with molecular formula C30H36N2O9 and molecular weight 568.24 g/mol. IUPAC: 2-(4-benzylpiperazin-1-yl)-1-(2,3-dihydro-1H-inden-5-yl)ethanol;bis((Z)-but-2-enedioic acid).
Chemical Property Profile of RefChem:1056606
Property Insights of RefChem:1056606
The XLogP value of 2.4501 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1056606. The TPSA of 175.91 Ų indicates high polarity, suggesting RefChem:1056606 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1056606 has 5 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1056606?
The CAS number of RefChem:1056606 is 55020-31-0.
What is the molecular formula of RefChem:1056606?
The molecular formula of RefChem:1056606 is C30H36N2O9.
What is the molecular weight of RefChem:1056606?
The molecular weight of RefChem:1056606 is 568.24 g/mol.
Where can I buy RefChem:1056606?
You can request a quote for RefChem:1056606 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056606?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056606 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.