RefChem:1056397
TL;DR: RefChem:1056397 (CAS 60960-28-3) is a chemical compound with molecular formula C34H40N6O12 and molecular weight 724.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((E)-but-2-enedioic acid);2-[4-[[1-[3-(4-nitrophenyl)-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-nitrophenyl)-3-oxopropyl)-1H-benzimidazol-2-yl)methyl)-, (Z)-2-butenedioate (1:2), (E)-but-2-enedioic acid; 2-[4-[[1-[3-(4-nitrophenyl)-3-oxopropyl]benzimidazol-2-yl]methyl]piperazin-1-yl]-N-propan-2-ylacetamide, RefChem:1056397
| Molecular Formula | C34H40N6O12 |
|---|---|
| Molecular Weight | 724.27 g/mol |
| LogP | 2.2833 |
| Topological Polar Surface Area | 262.81 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 14 |
| Exact Mass | 724.27045 |
| Heavy Atoms | 52 |
| Complexity | 1725.6456 |
Chemical Identifiers
| CAS Number | 60960-28-3 |
|---|---|
| SMILES | CC(NC(=O)CN1CCN(CC1)CC2=NC3=CC=CC=C3N2CCC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1056397 (CAS 60960-28-3), with molecular formula C34H40N6O12 and molecular weight 724.27 g/mol. IUPAC: bis((E)-but-2-enedioic acid);2-[4-[[1-[3-(4-nitrophenyl)-3-oxopropyl]benzimidazol-2-yl]methyl]piperazin-1-yl]-N-propan-2-ylacetamide.
Chemical Property Profile of RefChem:1056397
Property Insights of RefChem:1056397
The XLogP value of 2.2833 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1056397. The TPSA of 262.81 Ų indicates high polarity, suggesting RefChem:1056397 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1056397 has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1056397?
The CAS number of RefChem:1056397 is 60960-28-3.
What is the molecular formula of RefChem:1056397?
The molecular formula of RefChem:1056397 is C34H40N6O12.
What is the molecular weight of RefChem:1056397?
The molecular weight of RefChem:1056397 is 724.27 g/mol.
Where can I buy RefChem:1056397?
You can request a quote for RefChem:1056397 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056397?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056397 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.