![5-{5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl}-2-methylbenzoic acid structure](/static/products/586/586995-11-1.png)
5-{5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl}-2-methylbenzoic acid
TL;DR: 5-{5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl}-2-methylbenzoic acid (CAS 586995-11-1) is a chemical compound with molecular formula C22H15N3O3 and molecular weight 369.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl]-2-methylbenzoic acid
Also Known As: 5-{5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl}-2-methylbenzoic acid, (E)-5-(5-(2-(1H-benzo[d]imidazol-2-yl)-2-cyanovinyl)furan-2-yl)-2-methylbenzoic acid, 5-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl]-2-methylbenzoic acid, 5-[5-[2-(1H-benzoimidazol-2-yl)-2-cyano-ethenyl]-2-furyl]-2-methyl-benzoic Acid, 5-{5-[2-(1H-benzimidazol-2-yl)-2-cyanovinyl]-2-furyl}-2-methylbenzoic acid
| Molecular Formula | C22H15N3O3 |
|---|---|
| Molecular Weight | 369.11 g/mol |
| LogP | 4.8937 |
| Topological Polar Surface Area | 102.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 369.11133 |
| Heavy Atoms | 28 |
| Complexity | 1238.6669 |
Chemical Identifiers
| CAS Number | 586995-11-1 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=CC=C(O2)/C=C(\C#N)/C3=NC4=CC=CC=C4N3)C(=O)O |
Product Overview
5-{5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl}-2-methylbenzoic acid (CAS 586995-11-1), with molecular formula C22H15N3O3 and molecular weight 369.11 g/mol. IUPAC: 5-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl]-2-methylbenzoic acid.
Chemical Property Profile of 5-{5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl}-2-methylbenzoic acid
Property Insights of 5-{5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl}-2-methylbenzoic acid
The XLogP value of 4.8937 indicates that 5-{5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl}-2-methylbenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-{5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl}-2-methylbenzoic acid. Following Lipinski's Rule of Five, 5-{5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl}-2-methylbenzoic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-{5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl}-2-methylbenzoic acid?
The CAS number of 5-{5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl}-2-methylbenzoic acid is 586995-11-1.
What is the molecular formula of 5-{5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl}-2-methylbenzoic acid?
The molecular formula of 5-{5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl}-2-methylbenzoic acid is C22H15N3O3.
What is the molecular weight of 5-{5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl}-2-methylbenzoic acid?
The molecular weight of 5-{5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl}-2-methylbenzoic acid is 369.11 g/mol.
Where can I buy 5-{5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl}-2-methylbenzoic acid?
You can request a quote for 5-{5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl}-2-methylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-{5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl}-2-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-{5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl}-2-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.