RefChem:1096013
TL;DR: RefChem:1096013 (CAS 37652-54-3) is a chemical compound with molecular formula C23H28N2O4 and molecular weight 396.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2-benzylphenyl)methyl]-4-methylpiperazine;(E)-but-2-enedioic acid
Also Known As: 1-Methyl-4-((2-(phenylmethyl)phenyl)methyl)piperazine maleate, Piperazine, 1-methyl-4-((2-(phenylmethyl)phenyl)methyl)-, (Z)-2-butenedioate (1:1), 1-[(2-benzylphenyl)methyl]-4-methylpiperazine; (E)-but-2-enedioic acid, RefChem:1096013
| Molecular Formula | C23H28N2O4 |
|---|---|
| Molecular Weight | 396.20 g/mol |
| LogP | 2.7366 |
| Topological Polar Surface Area | 81.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 396.2049 |
| Heavy Atoms | 29 |
| Complexity | 796.6374 |
Chemical Identifiers
| CAS Number | 37652-54-3 |
|---|---|
| SMILES | CN1CCN(CC1)CC2=CC=CC=C2CC3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1096013 (CAS 37652-54-3), with molecular formula C23H28N2O4 and molecular weight 396.20 g/mol. IUPAC: 1-[(2-benzylphenyl)methyl]-4-methylpiperazine;(E)-but-2-enedioic acid.
Chemical Property Profile of RefChem:1096013
Property Insights of RefChem:1096013
The XLogP value of 2.7366 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1096013. The TPSA of 81.08 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1096013. Following Lipinski's Rule of Five, RefChem:1096013 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1096013?
The CAS number of RefChem:1096013 is 37652-54-3.
What is the molecular formula of RefChem:1096013?
The molecular formula of RefChem:1096013 is C23H28N2O4.
What is the molecular weight of RefChem:1096013?
The molecular weight of RefChem:1096013 is 396.20 g/mol.
Where can I buy RefChem:1096013?
You can request a quote for RefChem:1096013 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1096013?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1096013 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.