RefChem:1056381
TL;DR: RefChem:1056381 (CAS 60960-24-9) is a chemical compound with molecular formula C31H35N5O10 and molecular weight 637.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((E)-but-2-enedioic acid);2-[4-[[1-(3-oxo-3-phenylpropyl)benzimidazol-2-yl]methyl]piperazin-1-yl]acetamide
Also Known As: 1-Piperazineacetamide, 4-((1-(3-oxo-3-phenylpropyl)-1H-benzimidazol-2-yl)methyl)-, (Z)-2-butenedioate, hydrate (1:2:2), (E)-but-2-enedioic acid; 2-[4-[[1-(3-oxo-3-phenylpropyl)benzimidazol-2-yl]methyl]piperazin-1-yl]acetamide, RefChem:1056381
| Molecular Formula | C31H35N5O10 |
|---|---|
| Molecular Weight | 637.24 g/mol |
| LogP | 1.3358 |
| Topological Polar Surface Area | 233.66 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 637.2384 |
| Heavy Atoms | 46 |
| Complexity | 1508.778 |
Chemical Identifiers
| CAS Number | 60960-24-9 |
|---|---|
| SMILES | C1N(CCN(C1)CC(=O)N)CC2=NC3=CC=CC=C3N2CCC(=O)C4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1056381 (CAS 60960-24-9), with molecular formula C31H35N5O10 and molecular weight 637.24 g/mol. IUPAC: bis((E)-but-2-enedioic acid);2-[4-[[1-(3-oxo-3-phenylpropyl)benzimidazol-2-yl]methyl]piperazin-1-yl]acetamide.
Chemical Property Profile of RefChem:1056381
Property Insights of RefChem:1056381
The XLogP value of 1.3358 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1056381. The TPSA of 233.66 Ų indicates high polarity, suggesting RefChem:1056381 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1056381 has 5 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:1056381?
The CAS number of RefChem:1056381 is 60960-24-9.
What is the molecular formula of RefChem:1056381?
The molecular formula of RefChem:1056381 is C31H35N5O10.
What is the molecular weight of RefChem:1056381?
The molecular weight of RefChem:1056381 is 637.24 g/mol.
Where can I buy RefChem:1056381?
You can request a quote for RefChem:1056381 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056381?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056381 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.