![(2E)-3-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]-2-(3-fluorophenyl)prop-2-enenitrile structure](/static/products/1164/1164532-39-1.webp)
(2E)-3-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]-2-(3-fluorophenyl)prop-2-enenitrile
TL;DR: (2E)-3-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]-2-(3-fluorophenyl)prop-2-enenitrile (CAS 1164532-39-1) is a chemical compound with molecular formula C20H12FN3OS and molecular weight 361.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]-2-(3-fluorophenyl)prop-2-enenitrile
Also Known As: (2E)-3-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]-2-(3-fluorophenyl)prop-2-enenitrile, 3-[5-(1H-benzimidazol-2-ylthio)-2-furyl]-2-(3-fluorophenyl)acrylonitrile, (E)-3-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]-2-(3-fluorophenyl)prop-2-enenitrile
| Molecular Formula | C20H12FN3OS |
|---|---|
| Molecular Weight | 361.07 g/mol |
| LogP | 5.51038 |
| Topological Polar Surface Area | 65.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 361.0685 |
| Heavy Atoms | 26 |
| Complexity | 1120.0453 |
Chemical Identifiers
| CAS Number | 1164532-39-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)SC3=CC=C(O3)/C=C(/C#N)\C4=CC(=CC=C4)F |
Product Overview
(2E)-3-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]-2-(3-fluorophenyl)prop-2-enenitrile (CAS 1164532-39-1), with molecular formula C20H12FN3OS and molecular weight 361.07 g/mol. IUPAC: (E)-3-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]-2-(3-fluorophenyl)prop-2-enenitrile.
Chemical Property Profile of (2E)-3-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]-2-(3-fluorophenyl)prop-2-enenitrile
Property Insights of (2E)-3-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]-2-(3-fluorophenyl)prop-2-enenitrile
The XLogP value of 5.51038 indicates that (2E)-3-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]-2-(3-fluorophenyl)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.61 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-3-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]-2-(3-fluorophenyl)prop-2-enenitrile. Following Lipinski's Rule of Five, (2E)-3-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]-2-(3-fluorophenyl)prop-2-enenitrile has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2E)-3-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]-2-(3-fluorophenyl)prop-2-enenitrile?
The CAS number of (2E)-3-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]-2-(3-fluorophenyl)prop-2-enenitrile is 1164532-39-1.
What is the molecular formula of (2E)-3-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]-2-(3-fluorophenyl)prop-2-enenitrile?
The molecular formula of (2E)-3-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]-2-(3-fluorophenyl)prop-2-enenitrile is C20H12FN3OS.
What is the molecular weight of (2E)-3-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]-2-(3-fluorophenyl)prop-2-enenitrile?
The molecular weight of (2E)-3-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]-2-(3-fluorophenyl)prop-2-enenitrile is 361.07 g/mol.
Where can I buy (2E)-3-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]-2-(3-fluorophenyl)prop-2-enenitrile?
You can request a quote for (2E)-3-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]-2-(3-fluorophenyl)prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-3-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]-2-(3-fluorophenyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]-2-(3-fluorophenyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.