RefChem:1057964
TL;DR: RefChem:1057964 (CAS 73043-52-4) is a chemical compound with molecular formula C36H46N6O8 and molecular weight 690.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(4-[(4E)-4-[(4-methoxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]butanoic acid);piperazine
Also Known As: 1H-Imidazole-1-butanoic acid, 4,5-dihydro-4-((methoxyphenyl)methylene)-2-methyl-5-oxo-, compd. with piperazine (2:1), 4-[(4E)-4-[(4-methoxyphenyl)methylidene]-2-methyl-5-oxo-imidazol-1-yl]butanoic Acid; Piperazine, 4-[(4E)-4-[(4-methoxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]butanoic acid; piperazine, RefChem:1057964
| Molecular Formula | C36H46N6O8 |
|---|---|
| Molecular Weight | 690.34 g/mol |
| LogP | 3.5022 |
| Topological Polar Surface Area | 182.46 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 690.3377 |
| Heavy Atoms | 50 |
| Complexity | 1470.1233 |
Chemical Identifiers
| CAS Number | 73043-52-4 |
|---|---|
| SMILES | CC1=N/C(=C/C2=CC=C(C=C2)OC)/C(=O)N1CCCC(=O)O.CC1=N/C(=C/C2=CC=C(C=C2)OC)/C(=O)N1CCCC(=O)O.C1NCCNC1 |
Product Overview
RefChem:1057964 (CAS 73043-52-4), with molecular formula C36H46N6O8 and molecular weight 690.34 g/mol. IUPAC: bis(4-[(4E)-4-[(4-methoxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]butanoic acid);piperazine.
Chemical Property Profile of RefChem:1057964
Property Insights of RefChem:1057964
The XLogP value of 3.5022 indicates that RefChem:1057964 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 182.46 Ų indicates high polarity, suggesting RefChem:1057964 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1057964 has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1057964?
The CAS number of RefChem:1057964 is 73043-52-4.
What is the molecular formula of RefChem:1057964?
The molecular formula of RefChem:1057964 is C36H46N6O8.
What is the molecular weight of RefChem:1057964?
The molecular weight of RefChem:1057964 is 690.34 g/mol.
Where can I buy RefChem:1057964?
You can request a quote for RefChem:1057964 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1057964?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1057964 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.