RefChem:1096000
TL;DR: RefChem:1096000 (CAS 37652-61-2) is a chemical compound with molecular formula C30H38N2O8 and molecular weight 554.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2-benzylphenyl)methyl]-4-butylpiperazine;bis((E)-but-2-enedioic acid)
Also Known As: 1-(2-Benzylbenzyl)-4-(n-butyl)piperazine di(hydrogen maleate), 1-Butyl-4-((2-(phenylmethyl)phenyl)methyl)piperazine dimaleate, Piperazine, 1-butyl-4-((2-(phenylmethyl)phenyl)methyl)-, (Z)-2-butenedioate (1:2), 1-[(2-benzylphenyl)methyl]-4-butylpiperazine; (E)-but-2-enedioic acid, RefChem:1096000
| Molecular Formula | C30H38N2O8 |
|---|---|
| Molecular Weight | 554.26 g/mol |
| LogP | 3.6187 |
| Topological Polar Surface Area | 155.68 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 554.2628 |
| Heavy Atoms | 40 |
| Complexity | 1057.5385 |
Chemical Identifiers
| CAS Number | 37652-61-2 |
|---|---|
| SMILES | CCCCN1CCN(CC1)CC2=CC=CC=C2CC3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1096000 (CAS 37652-61-2), with molecular formula C30H38N2O8 and molecular weight 554.26 g/mol. IUPAC: 1-[(2-benzylphenyl)methyl]-4-butylpiperazine;bis((E)-but-2-enedioic acid).
Chemical Property Profile of RefChem:1096000
Property Insights of RefChem:1096000
The XLogP value of 3.6187 indicates that RefChem:1096000 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 155.68 Ų indicates high polarity, suggesting RefChem:1096000 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1096000 has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1096000?
The CAS number of RefChem:1096000 is 37652-61-2.
What is the molecular formula of RefChem:1096000?
The molecular formula of RefChem:1096000 is C30H38N2O8.
What is the molecular weight of RefChem:1096000?
The molecular weight of RefChem:1096000 is 554.26 g/mol.
Where can I buy RefChem:1096000?
You can request a quote for RefChem:1096000 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1096000?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1096000 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.