RefChem:1056949
TL;DR: RefChem:1056949 (CAS 51493-34-6) is a chemical compound with molecular formula C42H48N4O10 and molecular weight 768.34 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-butoxyphenyl)-3-[2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]benzimidazol-1-yl]propan-1-one
Also Known As: 1-Propanone, 1-(4-butoxyphenyl)-3-(2-((4-(3-phenyl-2-propenyl)-1-piperazinyl)methyl)-1H-benzimidazolyl-1-yl)-, (Z)-2-butenedioate (1:2), (E)-but-2-enedioic acid; 1-(4-butoxyphenyl)-3-[2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]benzimidazol-1-yl]propan-1-one, RefChem:1056949
| Molecular Formula | C42H48N4O10 |
|---|---|
| Molecular Weight | 768.34 g/mol |
| LogP | 5.7428 |
| Topological Polar Surface Area | 199.8 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 17 |
| Exact Mass | 768.33704 |
| Heavy Atoms | 56 |
| Complexity | 1896.2297 |
Chemical Identifiers
| CAS Number | 51493-34-6 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)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:1056949 (CAS 51493-34-6), with molecular formula C42H48N4O10 and molecular weight 768.34 g/mol. IUPAC: bis((E)-but-2-enedioic acid);1-(4-butoxyphenyl)-3-[2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]benzimidazol-1-yl]propan-1-one.
Chemical Property Profile of RefChem:1056949
Property Insights of RefChem:1056949
The XLogP value of 5.7428 indicates that RefChem:1056949 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 199.8 Ų indicates high polarity, suggesting RefChem:1056949 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1056949 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:1056949?
The CAS number of RefChem:1056949 is 51493-34-6.
What is the molecular formula of RefChem:1056949?
The molecular formula of RefChem:1056949 is C42H48N4O10.
What is the molecular weight of RefChem:1056949?
The molecular weight of RefChem:1056949 is 768.34 g/mol.
Where can I buy RefChem:1056949?
You can request a quote for RefChem:1056949 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056949?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056949 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.