7110MD
TL;DR: 7110MD (CAS 51493-20-0) is a chemical compound with molecular formula C38H40N4O9 and molecular weight 696.28 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-phenyl-3-[2-[[4-[(Z)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]benzimidazol-1-yl]propan-1-one
Also Known As: 7110MD, 7110 MD, EINECS 257-240-6, 3-(2-((4-Cinnamyl-1-piperazinyl)methyl)-1H-benzimidazol-1-yl)propiophenone dimaleate, 1-(2-Benzoylethyl) 2-(cinnamyl piperazinyl 1-methyl) benzimidazole dimaleate
| Molecular Formula | C38H40N4O9 |
|---|---|
| Molecular Weight | 696.28 g/mol |
| LogP | 4.5639 |
| Topological Polar Surface Area | 190.57 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 696.27954 |
| Heavy Atoms | 51 |
| Complexity | 1776.9518 |
Chemical Identifiers
| CAS Number | 51493-20-0 |
|---|---|
| SMILES | C1N(CCN(C1)CC2=NC3=CC=CC=C3N2CCC(=O)C4=CC=CC=C4)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
7110MD (CAS 51493-20-0), with molecular formula C38H40N4O9 and molecular weight 696.28 g/mol. IUPAC: bis((E)-but-2-enedioic acid);1-phenyl-3-[2-[[4-[(Z)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]benzimidazol-1-yl]propan-1-one.
Chemical Property Profile of 7110MD
Property Insights of 7110MD
The XLogP value of 4.5639 indicates that 7110MD is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 190.57 Ų indicates high polarity, suggesting 7110MD may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 7110MD 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 7110MD?
The CAS number of 7110MD is 51493-20-0.
What is the molecular formula of 7110MD?
The molecular formula of 7110MD is C38H40N4O9.
What is the molecular weight of 7110MD?
The molecular weight of 7110MD is 696.28 g/mol.
Where can I buy 7110MD?
You can request a quote for 7110MD directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7110MD?
Yes, KEHONG BIO provides custom synthesis services for 7110MD and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.