![3-{2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-1H-pyrrol-1-yl}benzoic acid structure](/static/products/593/593273-56-4.png)
3-{2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-1H-pyrrol-1-yl}benzoic acid
TL;DR: 3-{2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-1H-pyrrol-1-yl}benzoic acid (CAS 593273-56-4) is a chemical compound with molecular formula C21H14N4O2 and molecular weight 354.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]pyrrol-1-yl]benzoic acid
Also Known As: BAS 06042806, 3-{2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-1H-pyrrol-1-yl}benzoic acid, (E)-3-(2-(2-(1H-benzo[d]imidazol-2-yl)-2-cyanovinyl)-1H-pyrrol-1-yl)benzoic acid, 3-[2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]pyrrol-1-yl]benzoic acid
| Molecular Formula | C21H14N4O2 |
|---|---|
| Molecular Weight | 354.11 g/mol |
| LogP | 4.11598 |
| Topological Polar Surface Area | 94.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 354.11166 |
| Heavy Atoms | 27 |
| Complexity | 1191.1992 |
Chemical Identifiers
| CAS Number | 593273-56-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)/C(=C/C3=CC=CN3C4=CC=CC(=C4)C(=O)O)/C#N |
Product Overview
3-{2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-1H-pyrrol-1-yl}benzoic acid (CAS 593273-56-4), with molecular formula C21H14N4O2 and molecular weight 354.11 g/mol. IUPAC: 3-[2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]pyrrol-1-yl]benzoic acid.
Chemical Property Profile of 3-{2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-1H-pyrrol-1-yl}benzoic acid
Property Insights of 3-{2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-1H-pyrrol-1-yl}benzoic acid
The XLogP value of 4.11598 indicates that 3-{2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-1H-pyrrol-1-yl}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-1H-pyrrol-1-yl}benzoic acid. Following Lipinski's Rule of Five, 3-{2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-1H-pyrrol-1-yl}benzoic acid has 2 hydrogen bond donor(s) and 3 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 3-{2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-1H-pyrrol-1-yl}benzoic acid?
The CAS number of 3-{2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-1H-pyrrol-1-yl}benzoic acid is 593273-56-4.
What is the molecular formula of 3-{2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-1H-pyrrol-1-yl}benzoic acid?
The molecular formula of 3-{2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-1H-pyrrol-1-yl}benzoic acid is C21H14N4O2.
What is the molecular weight of 3-{2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-1H-pyrrol-1-yl}benzoic acid?
The molecular weight of 3-{2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-1H-pyrrol-1-yl}benzoic acid is 354.11 g/mol.
Where can I buy 3-{2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-1H-pyrrol-1-yl}benzoic acid?
You can request a quote for 3-{2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-1H-pyrrol-1-yl}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-1H-pyrrol-1-yl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-1H-pyrrol-1-yl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.