RefChem:79712
TL;DR: RefChem:79712 (CAS 74878-57-2) is a chemical compound with molecular formula C25H23BrN4O3 and molecular weight 506.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[3-methyl-2-[5-(1-phenylpyrazol-3-yl)furan-2-yl]benzimidazol-3-ium-1-yl]acetate bromide
Also Known As: 1-(2-ethoxy-2-oxoethyl)-3-methyl-2-[5-(1-phenyl-1h-pyrazol-3-yl)furan-2-yl]-1h-benzimidazol-3-ium bromide, 1-3-methyl-2-[5- furan-2-yl]-1h-benzimidazoliumbromide, 1- -3-methyl-2-[5- furan-2-yl]-1H-benzimidazoliumbromide, 1-(2-Ethoxy-2-oxoethyl)-3-methyl-2-(5-(1-phenyl-1H-pyrazol-3-yl)furan-2-yl)-1H-benzimidazolium bromide, 1H-Benzimidazolium, 1-((ethoxycarbonyl)methyl)-3-methyl-2-(5-(1-phenyl-1H-pyrazol-3-yl)-2-furanyl)-, bromide
| Molecular Formula | C25H23BrN4O3 |
|---|---|
| Molecular Weight | 506.10 g/mol |
| LogP | 1.1456 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 506.09534 |
| Heavy Atoms | 33 |
| Complexity | 643.0 |
Chemical Identifiers
| CAS Number | 74878-57-2 |
|---|---|
| SMILES | CCOC(=O)CN1C2=CC=CC=C2[N+](=C1C3=CC=C(O3)C4=NN(C=C4)C5=CC=CC=C5)C.[Br-] |
| InChIKey | DOIGBRIYFULADW-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:79712 (CAS 74878-57-2), with molecular formula C25H23BrN4O3 and molecular weight 506.10 g/mol. IUPAC: ethyl 2-[3-methyl-2-[5-(1-phenylpyrazol-3-yl)furan-2-yl]benzimidazol-3-ium-1-yl]acetate bromide.
Chemical Property Profile of RefChem:79712
Property Insights of RefChem:79712
The XLogP value of 1.1456 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:79712. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:79712. Following Lipinski's Rule of Five, RefChem:79712 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:79712?
The CAS number of RefChem:79712 is 74878-57-2.
What is the molecular formula of RefChem:79712?
The molecular formula of RefChem:79712 is C25H23BrN4O3.
What is the molecular weight of RefChem:79712?
The molecular weight of RefChem:79712 is 506.10 g/mol.
Where can I buy RefChem:79712?
You can request a quote for RefChem:79712 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:79712?
Yes, KEHONG BIO provides custom synthesis services for RefChem:79712 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.