![methyl 5-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl]-2-chlorobenzoate structure](/static/products/5883/5883-37-4.webp)
methyl 5-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl]-2-chlorobenzoate
TL;DR: methyl 5-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl]-2-chlorobenzoate (CAS 5883-37-4) is a chemical compound with molecular formula C22H14ClN3O3 and molecular weight 403.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl]-2-chlorobenzoate
Also Known As: methyl 5-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl]-2-chlorobenzoate, methyl 5-{5-[2-(1H-benzimidazol-2-yl)-2-cyanovinyl]-2-furyl}-2-chlorobenzoate, Methyl 5-[5-[2-(1H-benzoimidazol-2-yl)-2-cyano-ethenyl]-2-furyl]-2-chloro-benzoate, METHYL 5-{5-[(E)-2-(1H-1,3-BENZIMIDAZOL-2-YL)-2-CYANO-1-ETHENYL]-2-FURYL}-2-CHLOROBENZOATE, Methyl 5-{5-[(E)-2-(1H-1,3-benzimidazol-2-yl)-2-cyanoethen-1-yl]furan-2-yl}-2-chlorobenzoate
| Molecular Formula | C22H14ClN3O3 |
|---|---|
| Molecular Weight | 403.07 g/mol |
| LogP | 5.32708 |
| Topological Polar Surface Area | 91.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 403.07236 |
| Heavy Atoms | 29 |
| Complexity | 1261.1262 |
Chemical Identifiers
| CAS Number | 5883-37-4 |
|---|---|
| SMILES | COC(=O)C1=C(C=CC(=C1)C2=CC=C(O2)/C=C(\C#N)/C3=NC4=CC=CC=C4N3)Cl |
Product Overview
methyl 5-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl]-2-chlorobenzoate (CAS 5883-37-4), with molecular formula C22H14ClN3O3 and molecular weight 403.07 g/mol. IUPAC: methyl 5-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl]-2-chlorobenzoate.
Chemical Property Profile of methyl 5-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl]-2-chlorobenzoate
Property Insights of methyl 5-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl]-2-chlorobenzoate
The XLogP value of 5.32708 indicates that methyl 5-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl]-2-chlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.91 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 5-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl]-2-chlorobenzoate. Following Lipinski's Rule of Five, methyl 5-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl]-2-chlorobenzoate has 1 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 methyl 5-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl]-2-chlorobenzoate?
The CAS number of methyl 5-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl]-2-chlorobenzoate is 5883-37-4.
What is the molecular formula of methyl 5-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl]-2-chlorobenzoate?
The molecular formula of methyl 5-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl]-2-chlorobenzoate is C22H14ClN3O3.
What is the molecular weight of methyl 5-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl]-2-chlorobenzoate?
The molecular weight of methyl 5-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl]-2-chlorobenzoate is 403.07 g/mol.
Where can I buy methyl 5-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl]-2-chlorobenzoate?
You can request a quote for methyl 5-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl]-2-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 5-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl]-2-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl]-2-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.