RefChem:1075218
TL;DR: RefChem:1075218 (CAS 118989-84-7) is a chemical compound with molecular formula C27H30N4O11 and molecular weight 586.19 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-(3-methyl-4-phenylpiperazin-1-yl)-N-(3-nitrophenyl)acetamide
Also Known As: 1-Piperazineacetamide, 4-methyl-N-(3-nitrophenyl)-N-phenyl-, (Z)-2-butenedioate (1:2), Acetamide, 2-(4-methyl-1-piperazinyl)-N-(3-nitrophenyl)-N-phenyl-, (Z)-2-butenedioate (1:2), N-(3-Nitrophenyl)-N-phenyl-2-(4-methyl-1-piperazinyl)acetamide dimaleate, (E)-but-2-enedioic acid; 2-(3-methyl-4-phenylpiperazin-1-yl)-N-(3-nitrophenyl)acetamide, 2-(3-Methyl-4-phenyl-1-piperazinyl)-N-(3-nitrophenyl)acetamide (2 E)-2-butenedioate (1:2)
| Molecular Formula | C27H30N4O11 |
|---|---|
| Molecular Weight | 586.19 g/mol |
| LogP | 2.1676 |
| Topological Polar Surface Area | 227.92 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 586.1911 |
| Heavy Atoms | 42 |
| Complexity | 1246.1681 |
Chemical Identifiers
| CAS Number | 118989-84-7 |
|---|---|
| SMILES | CC1N(CCN(C1)CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1075218 (CAS 118989-84-7), with molecular formula C27H30N4O11 and molecular weight 586.19 g/mol. IUPAC: bis((E)-but-2-enedioic acid);2-(3-methyl-4-phenylpiperazin-1-yl)-N-(3-nitrophenyl)acetamide.
Chemical Property Profile of RefChem:1075218
Property Insights of RefChem:1075218
The XLogP value of 2.1676 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1075218. The TPSA of 227.92 Ų indicates high polarity, suggesting RefChem:1075218 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1075218 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:1075218?
The CAS number of RefChem:1075218 is 118989-84-7.
What is the molecular formula of RefChem:1075218?
The molecular formula of RefChem:1075218 is C27H30N4O11.
What is the molecular weight of RefChem:1075218?
The molecular weight of RefChem:1075218 is 586.19 g/mol.
Where can I buy RefChem:1075218?
You can request a quote for RefChem:1075218 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1075218?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1075218 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.