RefChem:1057961
TL;DR: RefChem:1057961 (CAS 73043-53-5) is a chemical compound with molecular formula C36H46N6O10 and molecular weight 722.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(4-[(4E)-4-[(3-hydroxy-4-methoxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]butanoic acid);piperazine
Also Known As: 1H-Imidazole-1-butanoic acid, 4,5-dihydro-4-((3-hydroxy-4-methoxyphenyl)methylene)-2-methyl-5-oxo-, compd. with piperazine (2:1), 4-[(4E)-4-[(3-hydroxy-4-methoxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]butanoic acid; piperazine, RefChem:1057961
| Molecular Formula | C36H46N6O10 |
|---|---|
| Molecular Weight | 722.33 g/mol |
| LogP | 2.9134 |
| Topological Polar Surface Area | 222.92 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 12 |
| Exact Mass | 722.3275 |
| Heavy Atoms | 52 |
| Complexity | 1600.6746 |
Chemical Identifiers
| CAS Number | 73043-53-5 |
|---|---|
| SMILES | CC1=N/C(=C/C2=CC(=C(C=C2)OC)O)/C(=O)N1CCCC(=O)O.CC1=N/C(=C/C2=CC(=C(C=C2)OC)O)/C(=O)N1CCCC(=O)O.C1NCCNC1 |
Product Overview
RefChem:1057961 (CAS 73043-53-5), with molecular formula C36H46N6O10 and molecular weight 722.33 g/mol. IUPAC: bis(4-[(4E)-4-[(3-hydroxy-4-methoxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]butanoic acid);piperazine.
Chemical Property Profile of RefChem:1057961
Property Insights of RefChem:1057961
The XLogP value of 2.9134 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1057961. The TPSA of 222.92 Ų indicates high polarity, suggesting RefChem:1057961 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1057961 has 6 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1057961?
The CAS number of RefChem:1057961 is 73043-53-5.
What is the molecular formula of RefChem:1057961?
The molecular formula of RefChem:1057961 is C36H46N6O10.
What is the molecular weight of RefChem:1057961?
The molecular weight of RefChem:1057961 is 722.33 g/mol.
Where can I buy RefChem:1057961?
You can request a quote for RefChem:1057961 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1057961?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1057961 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.