![(2E)-2-(1,3-benzodioxol-5-yl)-3-[3-bromo-4-(dimethylamino)phenyl]prop-2-enenitrile structure](/static/products/7082/708293-51-0.webp)
(2E)-2-(1,3-benzodioxol-5-yl)-3-[3-bromo-4-(dimethylamino)phenyl]prop-2-enenitrile
TL;DR: (2E)-2-(1,3-benzodioxol-5-yl)-3-[3-bromo-4-(dimethylamino)phenyl]prop-2-enenitrile (CAS 708293-51-0) is a chemical compound with molecular formula C18H15BrN2O2 and molecular weight 370.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-(1,3-benzodioxol-5-yl)-3-[3-bromo-4-(dimethylamino)phenyl]prop-2-enenitrile
Also Known As: (2E)-2-(1,3-benzodioxol-5-yl)-3-[3-bromo-4-(dimethylamino)phenyl]prop-2-enenitrile, (E)-2-(1,3-benzodioxol-5-yl)-3-[3-bromo-4-(dimethylamino)phenyl]prop-2-enenitrile
| Molecular Formula | C18H15BrN2O2 |
|---|---|
| Molecular Weight | 370.03 g/mol |
| LogP | 4.30798 |
| Topological Polar Surface Area | 45.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 370.03168 |
| Heavy Atoms | 23 |
| Complexity | 822.25665 |
Chemical Identifiers
| CAS Number | 708293-51-0 |
|---|---|
| SMILES | CN(C)C1=C(C=C(C=C1)/C=C(/C#N)\C2=CC3=C(C=C2)OCO3)Br |
Product Overview
(2E)-2-(1,3-benzodioxol-5-yl)-3-[3-bromo-4-(dimethylamino)phenyl]prop-2-enenitrile (CAS 708293-51-0), with molecular formula C18H15BrN2O2 and molecular weight 370.03 g/mol. IUPAC: (E)-2-(1,3-benzodioxol-5-yl)-3-[3-bromo-4-(dimethylamino)phenyl]prop-2-enenitrile.
Chemical Property Profile of (2E)-2-(1,3-benzodioxol-5-yl)-3-[3-bromo-4-(dimethylamino)phenyl]prop-2-enenitrile
Property Insights of (2E)-2-(1,3-benzodioxol-5-yl)-3-[3-bromo-4-(dimethylamino)phenyl]prop-2-enenitrile
The XLogP value of 4.30798 indicates that (2E)-2-(1,3-benzodioxol-5-yl)-3-[3-bromo-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 45.49 Ų, (2E)-2-(1,3-benzodioxol-5-yl)-3-[3-bromo-4-(dimethylamino)phenyl]prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-2-(1,3-benzodioxol-5-yl)-3-[3-bromo-4-(dimethylamino)phenyl]prop-2-enenitrile has 0 hydrogen bond donor(s) and 4 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 (2E)-2-(1,3-benzodioxol-5-yl)-3-[3-bromo-4-(dimethylamino)phenyl]prop-2-enenitrile?
The CAS number of (2E)-2-(1,3-benzodioxol-5-yl)-3-[3-bromo-4-(dimethylamino)phenyl]prop-2-enenitrile is 708293-51-0.
What is the molecular formula of (2E)-2-(1,3-benzodioxol-5-yl)-3-[3-bromo-4-(dimethylamino)phenyl]prop-2-enenitrile?
The molecular formula of (2E)-2-(1,3-benzodioxol-5-yl)-3-[3-bromo-4-(dimethylamino)phenyl]prop-2-enenitrile is C18H15BrN2O2.
What is the molecular weight of (2E)-2-(1,3-benzodioxol-5-yl)-3-[3-bromo-4-(dimethylamino)phenyl]prop-2-enenitrile?
The molecular weight of (2E)-2-(1,3-benzodioxol-5-yl)-3-[3-bromo-4-(dimethylamino)phenyl]prop-2-enenitrile is 370.03 g/mol.
Where can I buy (2E)-2-(1,3-benzodioxol-5-yl)-3-[3-bromo-4-(dimethylamino)phenyl]prop-2-enenitrile?
You can request a quote for (2E)-2-(1,3-benzodioxol-5-yl)-3-[3-bromo-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 (2E)-2-(1,3-benzodioxol-5-yl)-3-[3-bromo-4-(dimethylamino)phenyl]prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-(1,3-benzodioxol-5-yl)-3-[3-bromo-4-(dimethylamino)phenyl]prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.