RefChem:1056391
TL;DR: RefChem:1056391 (CAS 60959-94-6) is a chemical compound with molecular formula C33H39N5O10 and molecular weight 665.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((E)-but-2-enedioic acid);N,N-dimethyl-2-[4-[[1-(3-oxo-3-phenylpropyl)benzimidazol-2-yl]methyl]piperazin-1-yl]acetamide
Also Known As: 1-Piperazineacetamide, N,N-dimethyl-4-((1-(3-oxo-3-phenylpropyl)-1H-benzimidazol-2-yl)methyl)-, (Z)-2-butenedioate (1:2), (E)-but-2-enedioic acid; N,N-dimethyl-2-[4-[[1-(3-oxo-3-phenylpropyl)benzimidazol-2-yl]methyl]piperazin-1-yl]acetamide, RefChem:1056391
| Molecular Formula | C33H39N5O10 |
|---|---|
| Molecular Weight | 665.27 g/mol |
| LogP | 1.9387 |
| Topological Polar Surface Area | 210.88 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 665.2697 |
| Heavy Atoms | 48 |
| Complexity | 1557.9304 |
Chemical Identifiers
| CAS Number | 60959-94-6 |
|---|---|
| SMILES | CN(C(=O)CN1CCN(CC1)CC2=NC3=CC=CC=C3N2CCC(=O)C4=CC=CC=C4)C.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1056391 (CAS 60959-94-6), with molecular formula C33H39N5O10 and molecular weight 665.27 g/mol. IUPAC: bis((E)-but-2-enedioic acid);N,N-dimethyl-2-[4-[[1-(3-oxo-3-phenylpropyl)benzimidazol-2-yl]methyl]piperazin-1-yl]acetamide.
Chemical Property Profile of RefChem:1056391
Property Insights of RefChem:1056391
The XLogP value of 1.9387 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1056391. The TPSA of 210.88 Ų indicates high polarity, suggesting RefChem:1056391 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1056391 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:1056391?
The CAS number of RefChem:1056391 is 60959-94-6.
What is the molecular formula of RefChem:1056391?
The molecular formula of RefChem:1056391 is C33H39N5O10.
What is the molecular weight of RefChem:1056391?
The molecular weight of RefChem:1056391 is 665.27 g/mol.
Where can I buy RefChem:1056391?
You can request a quote for RefChem:1056391 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056391?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056391 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.