1H-Benzimidazole-2-acetonitrile, alpha-(2-furanylmethylene)-
TL;DR: 1H-Benzimidazole-2-acetonitrile, alpha-(2-furanylmethylene)- (CAS 104030-30-0) is a chemical compound with molecular formula C14H9N3O and molecular weight 235.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-(1H-benzimidazol-2-yl)-3-(furan-2-yl)prop-2-enenitrile
Also Known As: BAS 01949241, alpha-(2-Furanylmethylene)-1H-benzimidazole-2-acetonitrile, 1H-Benzimidazole-2-acetonitrile, alpha-(2-furanylmethylene)-, 2-(2-benzimidazolyl)-3-(2-furyl)acrylonitrile, AB00083695-01
| Molecular Formula | C14H9N3O |
|---|---|
| Molecular Weight | 235.07 g/mol |
| LogP | 3.22008 |
| Topological Polar Surface Area | 65.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 235.07455 |
| Heavy Atoms | 18 |
| Complexity | 711.791 |
Chemical Identifiers
| CAS Number | 104030-30-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)/C(=C/C3=CC=CO3)/C#N |
Product Overview
1H-Benzimidazole-2-acetonitrile, alpha-(2-furanylmethylene)- (CAS 104030-30-0), with molecular formula C14H9N3O and molecular weight 235.07 g/mol. IUPAC: (E)-2-(1H-benzimidazol-2-yl)-3-(furan-2-yl)prop-2-enenitrile.
Chemical Property Profile of 1H-Benzimidazole-2-acetonitrile, alpha-(2-furanylmethylene)-
Property Insights of 1H-Benzimidazole-2-acetonitrile, alpha-(2-furanylmethylene)-
The XLogP value of 3.22008 indicates that 1H-Benzimidazole-2-acetonitrile, alpha-(2-furanylmethylene)- 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 1H-Benzimidazole-2-acetonitrile, alpha-(2-furanylmethylene)-. Following Lipinski's Rule of Five, 1H-Benzimidazole-2-acetonitrile, alpha-(2-furanylmethylene)- has 1 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 1H-Benzimidazole-2-acetonitrile, alpha-(2-furanylmethylene)-?
The CAS number of 1H-Benzimidazole-2-acetonitrile, alpha-(2-furanylmethylene)- is 104030-30-0.
What is the molecular formula of 1H-Benzimidazole-2-acetonitrile, alpha-(2-furanylmethylene)-?
The molecular formula of 1H-Benzimidazole-2-acetonitrile, alpha-(2-furanylmethylene)- is C14H9N3O.
What is the molecular weight of 1H-Benzimidazole-2-acetonitrile, alpha-(2-furanylmethylene)-?
The molecular weight of 1H-Benzimidazole-2-acetonitrile, alpha-(2-furanylmethylene)- is 235.07 g/mol.
Where can I buy 1H-Benzimidazole-2-acetonitrile, alpha-(2-furanylmethylene)-?
You can request a quote for 1H-Benzimidazole-2-acetonitrile, alpha-(2-furanylmethylene)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Benzimidazole-2-acetonitrile, alpha-(2-furanylmethylene)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Benzimidazole-2-acetonitrile, alpha-(2-furanylmethylene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.