2-(1H-1,3-benzodiazol-2-yl)-3-(4-methylphenyl)prop-2-enenitrile
TL;DR: 2-(1H-1,3-benzodiazol-2-yl)-3-(4-methylphenyl)prop-2-enenitrile (CAS 343362-46-9) is a chemical compound with molecular formula C17H13N3 and molecular weight 259.11 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-methylphenyl)prop-2-enenitrile
Also Known As: BAS 01048026, J2.046.221C, 2-(1H-Benzoimidazol-2-yl)-3-p-tolyl-acrylonitrile, 2-(1H-1,3-benzodiazol-2-yl)-3-(4-methylphenyl)prop-2-enenitrile, 2-(1H-benzimidazol-2-yl)-3-(4-methylphenyl)acrylonitrile
| Molecular Formula | C17H13N3 |
|---|---|
| Molecular Weight | 259.11 g/mol |
| LogP | 3.9355 |
| Topological Polar Surface Area | 52.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 259.11096 |
| Heavy Atoms | 20 |
| Complexity | 784.31244 |
Chemical Identifiers
| CAS Number | 343362-46-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3N2 |
Product Overview
2-(1H-1,3-benzodiazol-2-yl)-3-(4-methylphenyl)prop-2-enenitrile (CAS 343362-46-9), with molecular formula C17H13N3 and molecular weight 259.11 g/mol. IUPAC: (E)-2-(1H-benzimidazol-2-yl)-3-(4-methylphenyl)prop-2-enenitrile.
Chemical Property Profile of 2-(1H-1,3-benzodiazol-2-yl)-3-(4-methylphenyl)prop-2-enenitrile
Property Insights of 2-(1H-1,3-benzodiazol-2-yl)-3-(4-methylphenyl)prop-2-enenitrile
The XLogP value of 3.9355 indicates that 2-(1H-1,3-benzodiazol-2-yl)-3-(4-methylphenyl)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, 2-(1H-1,3-benzodiazol-2-yl)-3-(4-methylphenyl)prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1H-1,3-benzodiazol-2-yl)-3-(4-methylphenyl)prop-2-enenitrile has 1 hydrogen bond donor(s) and 2 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 2-(1H-1,3-benzodiazol-2-yl)-3-(4-methylphenyl)prop-2-enenitrile?
The CAS number of 2-(1H-1,3-benzodiazol-2-yl)-3-(4-methylphenyl)prop-2-enenitrile is 343362-46-9.
What is the molecular formula of 2-(1H-1,3-benzodiazol-2-yl)-3-(4-methylphenyl)prop-2-enenitrile?
The molecular formula of 2-(1H-1,3-benzodiazol-2-yl)-3-(4-methylphenyl)prop-2-enenitrile is C17H13N3.
What is the molecular weight of 2-(1H-1,3-benzodiazol-2-yl)-3-(4-methylphenyl)prop-2-enenitrile?
The molecular weight of 2-(1H-1,3-benzodiazol-2-yl)-3-(4-methylphenyl)prop-2-enenitrile is 259.11 g/mol.
Where can I buy 2-(1H-1,3-benzodiazol-2-yl)-3-(4-methylphenyl)prop-2-enenitrile?
You can request a quote for 2-(1H-1,3-benzodiazol-2-yl)-3-(4-methylphenyl)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 2-(1H-1,3-benzodiazol-2-yl)-3-(4-methylphenyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1H-1,3-benzodiazol-2-yl)-3-(4-methylphenyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.