RefChem:1056396
TL;DR: RefChem:1056396 (CAS 60960-16-9) is a chemical compound with molecular formula C35H43N5O10 and molecular weight 693.30 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-(4-methylphenyl)-3-oxopropyl]benzimidazol-2-yl]methyl]piperazin-1-yl]-N-propan-2-ylacetamide
Also Known As: 1-Piperazineacetamide, N-(1-methylethyl)-4-((1-(3-(4-methylphenyl)-3-oxopropyl)-1H-benzimidazol-2-yl)methyl)-, (Z)-2-butenedioate (1:2), (E)-but-2-enedioic acid; 2-[4-[[1-[3-(4-methylphenyl)-3-oxopropyl]benzimidazol-2-yl]methyl]piperazin-1-yl]-N-propan-2-ylacetamide, RefChem:1056396
| Molecular Formula | C35H43N5O10 |
|---|---|
| Molecular Weight | 693.30 g/mol |
| LogP | 2.68352 |
| Topological Polar Surface Area | 219.67 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 13 |
| Exact Mass | 693.30096 |
| Heavy Atoms | 50 |
| Complexity | 1621.288 |
Chemical Identifiers
| CAS Number | 60960-16-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)CCN2C(=NC3=CC=CC=C23)CN4CCN(CC4)CC(=O)NC(C)C.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1056396 (CAS 60960-16-9), with molecular formula C35H43N5O10 and molecular weight 693.30 g/mol. IUPAC: bis((E)-but-2-enedioic acid);2-[4-[[1-[3-(4-methylphenyl)-3-oxopropyl]benzimidazol-2-yl]methyl]piperazin-1-yl]-N-propan-2-ylacetamide.
Chemical Property Profile of RefChem:1056396
Property Insights of RefChem:1056396
The XLogP value of 2.68352 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1056396. The TPSA of 219.67 Ų indicates high polarity, suggesting RefChem:1056396 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1056396 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:1056396?
The CAS number of RefChem:1056396 is 60960-16-9.
What is the molecular formula of RefChem:1056396?
The molecular formula of RefChem:1056396 is C35H43N5O10.
What is the molecular weight of RefChem:1056396?
The molecular weight of RefChem:1056396 is 693.30 g/mol.
Where can I buy RefChem:1056396?
You can request a quote for RefChem:1056396 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056396?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056396 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.