![2-(1H-1,3-benzodiazol-2-yl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile structure](/static/products/5731/57319-74-1.webp)
2-(1H-1,3-benzodiazol-2-yl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile
TL;DR: 2-(1H-1,3-benzodiazol-2-yl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile (CAS 57319-74-1) is a chemical compound with molecular formula C18H16N4 and molecular weight 288.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1H-benzimidazol-2-yl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile
Also Known As: 2-(1H-1,3-benzodiazol-2-yl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile, (E)-2-(1H-benzimidazol-2-yl)-3-[4-(dimethylamino)phenyl]prop, 2-(1H-benzimidazol-2-yl)-3-(4-dimethylaminophenyl)prop-2-enenitrile, Cambridge id 5376445
| Molecular Formula | C18H16N4 |
|---|---|
| Molecular Weight | 288.14 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 55.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 288.13748 |
| Heavy Atoms | 22 |
| Complexity | 453.0 |
Chemical Identifiers
| CAS Number | 57319-74-1 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C=C(C#N)C2=NC3=CC=CC=C3N2 |
| InChIKey | SHZAKAMMDOHBMT-UHFFFAOYSA-N |
Product Overview
2-(1H-1,3-benzodiazol-2-yl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile (CAS 57319-74-1), with molecular formula C18H16N4 and molecular weight 288.14 g/mol. IUPAC: 2-(1H-benzimidazol-2-yl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile.
Chemical Property Profile of 2-(1H-1,3-benzodiazol-2-yl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile
Property Insights of 2-(1H-1,3-benzodiazol-2-yl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile
The XLogP value of 3.4 indicates that 2-(1H-1,3-benzodiazol-2-yl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.7 Ų, 2-(1H-1,3-benzodiazol-2-yl)-3-[4-(dimethylamino)phenyl]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-(dimethylamino)phenyl]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 2-(1H-1,3-benzodiazol-2-yl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile?
The CAS number of 2-(1H-1,3-benzodiazol-2-yl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile is 57319-74-1.
What is the molecular formula of 2-(1H-1,3-benzodiazol-2-yl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile?
The molecular formula of 2-(1H-1,3-benzodiazol-2-yl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile is C18H16N4.
What is the molecular weight of 2-(1H-1,3-benzodiazol-2-yl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile?
The molecular weight of 2-(1H-1,3-benzodiazol-2-yl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile is 288.14 g/mol.
Where can I buy 2-(1H-1,3-benzodiazol-2-yl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile?
You can request a quote for 2-(1H-1,3-benzodiazol-2-yl)-3-[4-(dimethylamino)phenyl]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-(dimethylamino)phenyl]prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1H-1,3-benzodiazol-2-yl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.