RefChem:1056972
TL;DR: RefChem:1056972 (CAS 51493-32-4) is a chemical compound with molecular formula C41H46N4O12 and molecular weight 786.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((E)-but-2-enedioic acid);3-[2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]benzimidazol-1-yl]-1-(3,4,5-trimethoxyphenyl)propan-1-one
Also Known As: 1-Propanone, 3-(2-((4-(3-phenyl-2-propenyl)-1-piperazinyl)methyl)-1H-benzimidazol-1-yl)-1-(3,4,5-trimethoxyphenyl)-, (Z)-2-butenedioate (1:2), (E)-but-2-enedioic acid; 3-[2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]benzimidazol-1-yl]-1-(3,4,5-trimethoxyphenyl)propan-1-one, 3-[2-[(4-CINNAMYLPIPERAZIN-1-YL)METHYL]BENZOIMIDAZOL-1-YL]-1-(3,4,5-TRIMETHOXYPHENYL)PROPAN-1-ONE MALEATE, RefChem:1056972
| Molecular Formula | C41H46N4O12 |
|---|---|
| Molecular Weight | 786.31 g/mol |
| LogP | 4.5897 |
| Topological Polar Surface Area | 218.26 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 16 |
| Exact Mass | 786.3112 |
| Heavy Atoms | 57 |
| Complexity | 1975.2256 |
Chemical Identifiers
| CAS Number | 51493-32-4 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)CCN2C(=NC3=CC=CC=C23)CN4CCN(CC4)C/C=C/C5=CC=CC=C5.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1056972 (CAS 51493-32-4), with molecular formula C41H46N4O12 and molecular weight 786.31 g/mol. IUPAC: bis((E)-but-2-enedioic acid);3-[2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]benzimidazol-1-yl]-1-(3,4,5-trimethoxyphenyl)propan-1-one.
Chemical Property Profile of RefChem:1056972
Property Insights of RefChem:1056972
The XLogP value of 4.5897 indicates that RefChem:1056972 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 218.26 Ų indicates high polarity, suggesting RefChem:1056972 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1056972 has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1056972?
The CAS number of RefChem:1056972 is 51493-32-4.
What is the molecular formula of RefChem:1056972?
The molecular formula of RefChem:1056972 is C41H46N4O12.
What is the molecular weight of RefChem:1056972?
The molecular weight of RefChem:1056972 is 786.31 g/mol.
Where can I buy RefChem:1056972?
You can request a quote for RefChem:1056972 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056972?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056972 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.