(E)-2-(1H-benzimidazol-2-yl)-3-(4-methylsulfanylphenyl)prop-2-enenitrile
TL;DR: (E)-2-(1H-benzimidazol-2-yl)-3-(4-methylsulfanylphenyl)prop-2-enenitrile (CAS 5649-71-8) is a chemical compound with molecular formula C17H13N3S and molecular weight 291.08 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-(4-methylsulfanylphenyl)prop-2-enenitrile
Also Known As: BAS 00652717, AB00091721-01, 2-(1H-benzimidazol-2-yl)-3-[4-(methylthio)phenyl]acrylonitrile, A1566/0068276, (2E)-2-(1H-benzimidazol-2-yl)-3-[4-(methylsulfanyl)phenyl]prop-2-enenitrile
| Molecular Formula | C17H13N3S |
|---|---|
| Molecular Weight | 291.08 g/mol |
| LogP | 4.34898 |
| Topological Polar Surface Area | 52.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 291.083 |
| Heavy Atoms | 21 |
| Complexity | 805.3478 |
Chemical Identifiers
| CAS Number | 5649-71-8 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3N2 |
Product Overview
(E)-2-(1H-benzimidazol-2-yl)-3-(4-methylsulfanylphenyl)prop-2-enenitrile (CAS 5649-71-8), with molecular formula C17H13N3S and molecular weight 291.08 g/mol. IUPAC: (E)-2-(1H-benzimidazol-2-yl)-3-(4-methylsulfanylphenyl)prop-2-enenitrile.
Chemical Property Profile of (E)-2-(1H-benzimidazol-2-yl)-3-(4-methylsulfanylphenyl)prop-2-enenitrile
Property Insights of (E)-2-(1H-benzimidazol-2-yl)-3-(4-methylsulfanylphenyl)prop-2-enenitrile
The XLogP value of 4.34898 indicates that (E)-2-(1H-benzimidazol-2-yl)-3-(4-methylsulfanylphenyl)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.47 Ų, (E)-2-(1H-benzimidazol-2-yl)-3-(4-methylsulfanylphenyl)prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-2-(1H-benzimidazol-2-yl)-3-(4-methylsulfanylphenyl)prop-2-enenitrile 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 (E)-2-(1H-benzimidazol-2-yl)-3-(4-methylsulfanylphenyl)prop-2-enenitrile?
The CAS number of (E)-2-(1H-benzimidazol-2-yl)-3-(4-methylsulfanylphenyl)prop-2-enenitrile is 5649-71-8.
What is the molecular formula of (E)-2-(1H-benzimidazol-2-yl)-3-(4-methylsulfanylphenyl)prop-2-enenitrile?
The molecular formula of (E)-2-(1H-benzimidazol-2-yl)-3-(4-methylsulfanylphenyl)prop-2-enenitrile is C17H13N3S.
What is the molecular weight of (E)-2-(1H-benzimidazol-2-yl)-3-(4-methylsulfanylphenyl)prop-2-enenitrile?
The molecular weight of (E)-2-(1H-benzimidazol-2-yl)-3-(4-methylsulfanylphenyl)prop-2-enenitrile is 291.08 g/mol.
Where can I buy (E)-2-(1H-benzimidazol-2-yl)-3-(4-methylsulfanylphenyl)prop-2-enenitrile?
You can request a quote for (E)-2-(1H-benzimidazol-2-yl)-3-(4-methylsulfanylphenyl)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 (E)-2-(1H-benzimidazol-2-yl)-3-(4-methylsulfanylphenyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(1H-benzimidazol-2-yl)-3-(4-methylsulfanylphenyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.