RefChem:1056950
TL;DR: RefChem:1056950 (CAS 51493-22-2) is a chemical compound with molecular formula C38H39ClN4O9 and molecular weight 730.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((E)-but-2-enedioic acid);1-(4-chlorophenyl)-3-[2-[[4-[(Z)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]benzimidazol-1-yl]propan-1-one
Also Known As: 1-Propanone, 1-(4-chlorophenyl)-3-(2-((4-(3-phenyl-2-propenyl)-1-piperazinyl)methyl)-1H-benzimidazol-1-yl)-, (Z)-2-butenedioate (1:2), (E)-but-2-enedioic acid; 1-(4-chlorophenyl)-3-[2-[[4-[(Z)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]benzimidazol-1-yl]propan-1-one, RefChem:1056950
| Molecular Formula | C38H39ClN4O9 |
|---|---|
| Molecular Weight | 730.24 g/mol |
| LogP | 5.2173 |
| Topological Polar Surface Area | 190.57 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 730.24054 |
| Heavy Atoms | 52 |
| Complexity | 1830.5702 |
Chemical Identifiers
| CAS Number | 51493-22-2 |
|---|---|
| SMILES | C1N(CCN(C1)CC2=NC3=CC=CC=C3N2CCC(=O)C4=CC=C(C=C4)Cl)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:1056950 (CAS 51493-22-2), with molecular formula C38H39ClN4O9 and molecular weight 730.24 g/mol. IUPAC: bis((E)-but-2-enedioic acid);1-(4-chlorophenyl)-3-[2-[[4-[(Z)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]benzimidazol-1-yl]propan-1-one.
Chemical Property Profile of RefChem:1056950
Property Insights of RefChem:1056950
The XLogP value of 5.2173 indicates that RefChem:1056950 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 190.57 Ų indicates high polarity, suggesting RefChem:1056950 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1056950 has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1056950?
The CAS number of RefChem:1056950 is 51493-22-2.
What is the molecular formula of RefChem:1056950?
The molecular formula of RefChem:1056950 is C38H39ClN4O9.
What is the molecular weight of RefChem:1056950?
The molecular weight of RefChem:1056950 is 730.24 g/mol.
Where can I buy RefChem:1056950?
You can request a quote for RefChem:1056950 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056950?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056950 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.