RefChem:1057783
TL;DR: RefChem:1057783 (CAS 60960-04-5) is a chemical compound with molecular formula C37H45N5O10 and molecular weight 719.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]methyl]benzimidazol-1-yl]-1-phenylpropan-1-one;bis((E)-but-2-enedioic acid)
Also Known As: 1H-Azepine, hexahydro-1-((4-((1-(3-oxo-3-phenylpropyl)-1H-benzimidazol-2-yl)methyl)-1-piperazinyl)acetyl)-, (Z)-2-butenedioate (1:2), 3-[2-[[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]methyl]benzimidazol-1-yl]-1-phenylpropan-1-one; (E)-but-2-enedioic acid, RefChem:1057783
| Molecular Formula | C37H45N5O10 |
|---|---|
| Molecular Weight | 719.32 g/mol |
| LogP | 3.2531 |
| Topological Polar Surface Area | 210.88 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 719.31665 |
| Heavy Atoms | 52 |
| Complexity | 1654.7163 |
Chemical Identifiers
| CAS Number | 60960-04-5 |
|---|---|
| SMILES | C1CCN(CCC1)C(=O)CN2CCN(CC2)CC3=NC4=CC=CC=C4N3CCC(=O)C5=CC=CC=C5.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1057783 (CAS 60960-04-5), with molecular formula C37H45N5O10 and molecular weight 719.32 g/mol. IUPAC: 3-[2-[[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]methyl]benzimidazol-1-yl]-1-phenylpropan-1-one;bis((E)-but-2-enedioic acid).
Chemical Property Profile of RefChem:1057783
Property Insights of RefChem:1057783
The XLogP value of 3.2531 indicates that RefChem:1057783 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 210.88 Ų indicates high polarity, suggesting RefChem:1057783 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1057783 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:1057783?
The CAS number of RefChem:1057783 is 60960-04-5.
What is the molecular formula of RefChem:1057783?
The molecular formula of RefChem:1057783 is C37H45N5O10.
What is the molecular weight of RefChem:1057783?
The molecular weight of RefChem:1057783 is 719.32 g/mol.
Where can I buy RefChem:1057783?
You can request a quote for RefChem:1057783 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1057783?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1057783 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.