RefChem:1057962
TL;DR: RefChem:1057962 (CAS 73043-49-9) is a chemical compound with molecular formula C34H40Cl2N6O6 and molecular weight 698.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(4-[(4E)-4-[(4-chlorophenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]butanoic acid);piperazine
Also Known As: 1H-Imidazole-1-butanoic acid, 4,5-dihydro-4-((4-chlorophenyl)methylene)-2-methyl-5-oxo-, compd. with piperazine (2:1), 4-[(4E)-4-[(4-chlorophenyl)methylidene]-2-methyl-5-oxo-imidazol-1-yl]butanoic Acid; Piperazine, 4-[(4E)-4-[(4-chlorophenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]butanoic acid; piperazine, RefChem:1057962
| Molecular Formula | C34H40Cl2N6O6 |
|---|---|
| Molecular Weight | 698.24 g/mol |
| LogP | 4.7918 |
| Topological Polar Surface Area | 164.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 698.23865 |
| Heavy Atoms | 48 |
| Complexity | 1444.3168 |
Chemical Identifiers
| CAS Number | 73043-49-9 |
|---|---|
| SMILES | CC1=N/C(=C/C2=CC=C(C=C2)Cl)/C(=O)N1CCCC(=O)O.CC1=N/C(=C/C2=CC=C(C=C2)Cl)/C(=O)N1CCCC(=O)O.C1NCCNC1 |
Product Overview
RefChem:1057962 (CAS 73043-49-9), with molecular formula C34H40Cl2N6O6 and molecular weight 698.24 g/mol. IUPAC: bis(4-[(4E)-4-[(4-chlorophenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]butanoic acid);piperazine.
Chemical Property Profile of RefChem:1057962
Property Insights of RefChem:1057962
The XLogP value of 4.7918 indicates that RefChem:1057962 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 164.0 Ų indicates high polarity, suggesting RefChem:1057962 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1057962 has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1057962?
The CAS number of RefChem:1057962 is 73043-49-9.
What is the molecular formula of RefChem:1057962?
The molecular formula of RefChem:1057962 is C34H40Cl2N6O6.
What is the molecular weight of RefChem:1057962?
The molecular weight of RefChem:1057962 is 698.24 g/mol.
Where can I buy RefChem:1057962?
You can request a quote for RefChem:1057962 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1057962?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1057962 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.