![3-[4-(Dimethylamino)phenyl]-2-(4-methoxyphenyl)prop-2-enenitrile structure](/static/products/6582/6582-06-5.webp)
3-[4-(Dimethylamino)phenyl]-2-(4-methoxyphenyl)prop-2-enenitrile
TL;DR: 3-[4-(Dimethylamino)phenyl]-2-(4-methoxyphenyl)prop-2-enenitrile (CAS 6582-06-5) is a chemical compound with molecular formula C18H18N2O and molecular weight 278.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(dimethylamino)phenyl]-2-(4-methoxyphenyl)prop-2-enenitrile
Also Known As: 3-(4-dimethylaminophenyl)-2-(4-methoxyphenyl)prop-2-enenitrile, 3-[4-(dimethylamino)phenyl]-2-(4-methoxyphenyl)prop-2-enenitrile
| Molecular Formula | C18H18N2O |
|---|---|
| Molecular Weight | 278.14 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 36.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 278.1419 |
| Heavy Atoms | 21 |
| Complexity | 391.0 |
Chemical Identifiers
| CAS Number | 6582-06-5 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C=C(C#N)C2=CC=C(C=C2)OC |
| InChIKey | KBOBWBOCWNTNSX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-[4-(Dimethylamino)phenyl]-2-(4-methoxyphenyl)prop-2-enenitrile (CAS 6582-06-5), with molecular formula C18H18N2O and molecular weight 278.14 g/mol. IUPAC: 3-[4-(dimethylamino)phenyl]-2-(4-methoxyphenyl)prop-2-enenitrile.
Chemical Property Profile of 3-[4-(Dimethylamino)phenyl]-2-(4-methoxyphenyl)prop-2-enenitrile
Property Insights of 3-[4-(Dimethylamino)phenyl]-2-(4-methoxyphenyl)prop-2-enenitrile
The XLogP value of 3.8 indicates that 3-[4-(Dimethylamino)phenyl]-2-(4-methoxyphenyl)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.3 Ų, 3-[4-(Dimethylamino)phenyl]-2-(4-methoxyphenyl)prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[4-(Dimethylamino)phenyl]-2-(4-methoxyphenyl)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 3-[4-(Dimethylamino)phenyl]-2-(4-methoxyphenyl)prop-2-enenitrile?
The CAS number of 3-[4-(Dimethylamino)phenyl]-2-(4-methoxyphenyl)prop-2-enenitrile is 6582-06-5.
What is the molecular formula of 3-[4-(Dimethylamino)phenyl]-2-(4-methoxyphenyl)prop-2-enenitrile?
The molecular formula of 3-[4-(Dimethylamino)phenyl]-2-(4-methoxyphenyl)prop-2-enenitrile is C18H18N2O.
What is the molecular weight of 3-[4-(Dimethylamino)phenyl]-2-(4-methoxyphenyl)prop-2-enenitrile?
The molecular weight of 3-[4-(Dimethylamino)phenyl]-2-(4-methoxyphenyl)prop-2-enenitrile is 278.14 g/mol.
Where can I buy 3-[4-(Dimethylamino)phenyl]-2-(4-methoxyphenyl)prop-2-enenitrile?
You can request a quote for 3-[4-(Dimethylamino)phenyl]-2-(4-methoxyphenyl)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 3-[4-(Dimethylamino)phenyl]-2-(4-methoxyphenyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-(Dimethylamino)phenyl]-2-(4-methoxyphenyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.