![2-Benzoyl-3-[4-(dimethylamino)phenyl]prop-2-enenitrile structure](/static/products/1012/101220-35-3.webp)
2-Benzoyl-3-[4-(dimethylamino)phenyl]prop-2-enenitrile
TL;DR: 2-Benzoyl-3-[4-(dimethylamino)phenyl]prop-2-enenitrile (CAS 101220-35-3) is a chemical compound with molecular formula C18H16N2O and molecular weight 276.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzoyl-3-[4-(dimethylamino)phenyl]prop-2-enenitrile
Also Known As: 2-benzoyl-3-[4-(dimethylamino)phenyl]prop-2-enenitrile, 2-benzoyl-3-(4-dimethylaminophenyl)prop-2-enenitrile, (E)-2-benzoyl-3-(4-(dimethylamino)phenyl)acrylonitrile, (E)-2-benzoyl-3-[4-(dimethylamino)phenyl]-2-propenenitrile, (2E)-2-[(E)-benzoyl]-3-[4-(dimethylamino)phenyl]prop-2-enenitrile
| Molecular Formula | C18H16N2O |
|---|---|
| Molecular Weight | 276.13 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 276.12625 |
| Heavy Atoms | 21 |
| Complexity | 429.0 |
Chemical Identifiers
| CAS Number | 101220-35-3 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C=C(C#N)C(=O)C2=CC=CC=C2 |
| InChIKey | ZDFLQGAJFFWSSF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Benzoyl-3-[4-(dimethylamino)phenyl]prop-2-enenitrile (CAS 101220-35-3), with molecular formula C18H16N2O and molecular weight 276.13 g/mol. IUPAC: 2-benzoyl-3-[4-(dimethylamino)phenyl]prop-2-enenitrile.
Chemical Property Profile of 2-Benzoyl-3-[4-(dimethylamino)phenyl]prop-2-enenitrile
Property Insights of 2-Benzoyl-3-[4-(dimethylamino)phenyl]prop-2-enenitrile
The XLogP value of 3.7 indicates that 2-Benzoyl-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 44.1 Ų, 2-Benzoyl-3-[4-(dimethylamino)phenyl]prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzoyl-3-[4-(dimethylamino)phenyl]prop-2-enenitrile has 0 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-Benzoyl-3-[4-(dimethylamino)phenyl]prop-2-enenitrile?
The CAS number of 2-Benzoyl-3-[4-(dimethylamino)phenyl]prop-2-enenitrile is 101220-35-3.
What is the molecular formula of 2-Benzoyl-3-[4-(dimethylamino)phenyl]prop-2-enenitrile?
The molecular formula of 2-Benzoyl-3-[4-(dimethylamino)phenyl]prop-2-enenitrile is C18H16N2O.
What is the molecular weight of 2-Benzoyl-3-[4-(dimethylamino)phenyl]prop-2-enenitrile?
The molecular weight of 2-Benzoyl-3-[4-(dimethylamino)phenyl]prop-2-enenitrile is 276.13 g/mol.
Where can I buy 2-Benzoyl-3-[4-(dimethylamino)phenyl]prop-2-enenitrile?
You can request a quote for 2-Benzoyl-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-Benzoyl-3-[4-(dimethylamino)phenyl]prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzoyl-3-[4-(dimethylamino)phenyl]prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.