RefChem:1056971
TL;DR: RefChem:1056971 (CAS 60248-28-4) is a chemical compound with molecular formula C36H38N4O9S and molecular weight 702.24 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-[(Z)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]benzimidazol-1-yl]-1-thiophen-2-ylpropan-1-one
Also Known As: 1-Propanone, 3-(2-((4-(3-phenyl-2-propenyl)-1-piperazinyl)methyl)-1H-benzimidazol-1-yl)-1-(2-thienyl)-, (Z)-2-butenedioate (1:2), 1-(2'-(alpha-Thienoyl)eth-1'-yl)-2-(4''-cinnamylpiperazin-1''-ylmethyl)benzimidazole dimaleate, (E)-but-2-enedioic acid; 3-[2-[[4-[(Z)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]benzimidazol-1-yl]-1-thiophen-2-ylpropan-1-one, RefChem:1056971
| Molecular Formula | C36H38N4O9S |
|---|---|
| Molecular Weight | 702.24 g/mol |
| LogP | 4.6254 |
| Topological Polar Surface Area | 190.57 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 13 |
| Exact Mass | 702.23596 |
| Heavy Atoms | 50 |
| Complexity | 1741.325 |
Chemical Identifiers
| CAS Number | 60248-28-4 |
|---|---|
| SMILES | C1N(CCN(C1)CC2=NC3=CC=CC=C3N2CCC(=O)C4=CC=CS4)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:1056971 (CAS 60248-28-4), with molecular formula C36H38N4O9S and molecular weight 702.24 g/mol. IUPAC: bis((E)-but-2-enedioic acid);3-[2-[[4-[(Z)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]benzimidazol-1-yl]-1-thiophen-2-ylpropan-1-one.
Chemical Property Profile of RefChem:1056971
Property Insights of RefChem:1056971
The XLogP value of 4.6254 indicates that RefChem:1056971 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 190.57 Ų indicates high polarity, suggesting RefChem:1056971 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1056971 has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1056971?
The CAS number of RefChem:1056971 is 60248-28-4.
What is the molecular formula of RefChem:1056971?
The molecular formula of RefChem:1056971 is C36H38N4O9S.
What is the molecular weight of RefChem:1056971?
The molecular weight of RefChem:1056971 is 702.24 g/mol.
Where can I buy RefChem:1056971?
You can request a quote for RefChem:1056971 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056971?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056971 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.