1-Piperazinamine, 4-((2-(phenylmethyl)phenyl)methyl)-, (Z)-2-butenedioate (1:2)
TL;DR: 1-Piperazinamine, 4-((2-(phenylmethyl)phenyl)methyl)-, (Z)-2-butenedioate (1:2) (CAS 37652-86-1) is a chemical compound with molecular formula C26H31N3O8 and molecular weight 513.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-benzylphenyl)methyl]piperazin-1-amine;bis((E)-but-2-enedioic acid)
Also Known As: 1-(2-Benzylbenzyl)-4-aminopiperazine di(hydrogen maleate), 4-((2-(Phenylmethyl)phenyl)methyl)-1-piperazinamine dimaleate, 1-Piperazinamine, 4-((2-(phenylmethyl)phenyl)methyl)-, (Z)-2-butenedioate (1:2), 4-[(2-benzylphenyl)methyl]piperazin-1-amine; (E)-but-2-enedioic acid, RefChem:1056363
| Molecular Formula | C26H31N3O8 |
|---|---|
| Molecular Weight | 513.21 g/mol |
| LogP | 1.6923 |
| Topological Polar Surface Area | 181.7 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 513.2111 |
| Heavy Atoms | 37 |
| Complexity | 1012.2392 |
Chemical Identifiers
| CAS Number | 37652-86-1 |
|---|---|
| SMILES | C1N(CCN(C1)N)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
1-Piperazinamine, 4-((2-(phenylmethyl)phenyl)methyl)-, (Z)-2-butenedioate (1:2) (CAS 37652-86-1), with molecular formula C26H31N3O8 and molecular weight 513.21 g/mol. IUPAC: 4-[(2-benzylphenyl)methyl]piperazin-1-amine;bis((E)-but-2-enedioic acid).
Chemical Property Profile of 1-Piperazinamine, 4-((2-(phenylmethyl)phenyl)methyl)-, (Z)-2-butenedioate (1:2)
Property Insights of 1-Piperazinamine, 4-((2-(phenylmethyl)phenyl)methyl)-, (Z)-2-butenedioate (1:2)
The XLogP value of 1.6923 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Piperazinamine, 4-((2-(phenylmethyl)phenyl)methyl)-, (Z)-2-butenedioate (1:2). The TPSA of 181.7 Ų indicates high polarity, suggesting 1-Piperazinamine, 4-((2-(phenylmethyl)phenyl)methyl)-, (Z)-2-butenedioate (1:2) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-Piperazinamine, 4-((2-(phenylmethyl)phenyl)methyl)-, (Z)-2-butenedioate (1:2) 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 1-Piperazinamine, 4-((2-(phenylmethyl)phenyl)methyl)-, (Z)-2-butenedioate (1:2)?
The CAS number of 1-Piperazinamine, 4-((2-(phenylmethyl)phenyl)methyl)-, (Z)-2-butenedioate (1:2) is 37652-86-1.
What is the molecular formula of 1-Piperazinamine, 4-((2-(phenylmethyl)phenyl)methyl)-, (Z)-2-butenedioate (1:2)?
The molecular formula of 1-Piperazinamine, 4-((2-(phenylmethyl)phenyl)methyl)-, (Z)-2-butenedioate (1:2) is C26H31N3O8.
What is the molecular weight of 1-Piperazinamine, 4-((2-(phenylmethyl)phenyl)methyl)-, (Z)-2-butenedioate (1:2)?
The molecular weight of 1-Piperazinamine, 4-((2-(phenylmethyl)phenyl)methyl)-, (Z)-2-butenedioate (1:2) is 513.21 g/mol.
Where can I buy 1-Piperazinamine, 4-((2-(phenylmethyl)phenyl)methyl)-, (Z)-2-butenedioate (1:2)?
You can request a quote for 1-Piperazinamine, 4-((2-(phenylmethyl)phenyl)methyl)-, (Z)-2-butenedioate (1:2) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Piperazinamine, 4-((2-(phenylmethyl)phenyl)methyl)-, (Z)-2-butenedioate (1:2)?
Yes, KEHONG BIO provides custom synthesis services for 1-Piperazinamine, 4-((2-(phenylmethyl)phenyl)methyl)-, (Z)-2-butenedioate (1:2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.