RefChem:1096039
TL;DR: RefChem:1096039 (CAS 61014-81-1) is a chemical compound with molecular formula C24H30N2O4 and molecular weight 410.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;1-phenyl-4-[(2,4,6-trimethylphenyl)methyl]piperazine
Also Known As: 1-Phenyl-4-((2,4,6-trimethylphenyl)methyl)piperazine (Z)-2-butenedioate, Piperazine, 1-phenyl-4-((2,4,6-trimethylphenyl)methyl)-, (Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 1-phenyl-4-[(2,4,6-trimethylphenyl)methyl]piperazine, RefChem:1096039
| Molecular Formula | C24H30N2O4 |
|---|---|
| Molecular Weight | 410.22 g/mol |
| LogP | 3.64586 |
| Topological Polar Surface Area | 81.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.22055 |
| Heavy Atoms | 30 |
| Complexity | 846.329 |
Chemical Identifiers
| CAS Number | 61014-81-1 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)CN2CCN(CC2)C3=CC=CC=C3)C.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1096039 (CAS 61014-81-1), with molecular formula C24H30N2O4 and molecular weight 410.22 g/mol. IUPAC: (E)-but-2-enedioic acid;1-phenyl-4-[(2,4,6-trimethylphenyl)methyl]piperazine.
Chemical Property Profile of RefChem:1096039
Property Insights of RefChem:1096039
The XLogP value of 3.64586 indicates that RefChem:1096039 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.08 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1096039. Following Lipinski's Rule of Five, RefChem:1096039 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:1096039?
The CAS number of RefChem:1096039 is 61014-81-1.
What is the molecular formula of RefChem:1096039?
The molecular formula of RefChem:1096039 is C24H30N2O4.
What is the molecular weight of RefChem:1096039?
The molecular weight of RefChem:1096039 is 410.22 g/mol.
Where can I buy RefChem:1096039?
You can request a quote for RefChem:1096039 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1096039?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1096039 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.