(Z)-2-(2,4-dichlorophenyl)-3-(6-ethoxy-1,3-benzodioxol-5-yl)prop-2-enenitrile
TL;DR: (Z)-2-(2,4-dichlorophenyl)-3-(6-ethoxy-1,3-benzodioxol-5-yl)prop-2-enenitrile (CAS 693242-33-0) is a chemical compound with molecular formula C18H13Cl2NO3 and molecular weight 361.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-2-(2,4-dichlorophenyl)-3-(6-ethoxy-1,3-benzodioxol-5-yl)prop-2-enenitrile
Also Known As: (2Z)-2-(2,4-dichlorophenyl)-3-(6-ethoxy-1,3-benzodioxol-5-yl)prop-2-enenitrile, (Z)-2-(2,4-dichlorophenyl)-3-(6-ethoxy-1,3-benzodioxol-5-yl)prop-2-enenitrile
| Molecular Formula | C18H13Cl2NO3 |
|---|---|
| Molecular Weight | 361.03 g/mol |
| LogP | 5.18498 |
| Topological Polar Surface Area | 51.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 361.02725 |
| Heavy Atoms | 24 |
| Complexity | 856.0729 |
Chemical Identifiers
| CAS Number | 693242-33-0 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1/C=C(\C#N)/C3=C(C=C(C=C3)Cl)Cl)OCO2 |
Product Overview
(Z)-2-(2,4-dichlorophenyl)-3-(6-ethoxy-1,3-benzodioxol-5-yl)prop-2-enenitrile (CAS 693242-33-0), with molecular formula C18H13Cl2NO3 and molecular weight 361.03 g/mol. IUPAC: (Z)-2-(2,4-dichlorophenyl)-3-(6-ethoxy-1,3-benzodioxol-5-yl)prop-2-enenitrile.
Chemical Property Profile of (Z)-2-(2,4-dichlorophenyl)-3-(6-ethoxy-1,3-benzodioxol-5-yl)prop-2-enenitrile
Property Insights of (Z)-2-(2,4-dichlorophenyl)-3-(6-ethoxy-1,3-benzodioxol-5-yl)prop-2-enenitrile
The XLogP value of 5.18498 indicates that (Z)-2-(2,4-dichlorophenyl)-3-(6-ethoxy-1,3-benzodioxol-5-yl)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.48 Ų, (Z)-2-(2,4-dichlorophenyl)-3-(6-ethoxy-1,3-benzodioxol-5-yl)prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-2-(2,4-dichlorophenyl)-3-(6-ethoxy-1,3-benzodioxol-5-yl)prop-2-enenitrile has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (Z)-2-(2,4-dichlorophenyl)-3-(6-ethoxy-1,3-benzodioxol-5-yl)prop-2-enenitrile?
The CAS number of (Z)-2-(2,4-dichlorophenyl)-3-(6-ethoxy-1,3-benzodioxol-5-yl)prop-2-enenitrile is 693242-33-0.
What is the molecular formula of (Z)-2-(2,4-dichlorophenyl)-3-(6-ethoxy-1,3-benzodioxol-5-yl)prop-2-enenitrile?
The molecular formula of (Z)-2-(2,4-dichlorophenyl)-3-(6-ethoxy-1,3-benzodioxol-5-yl)prop-2-enenitrile is C18H13Cl2NO3.
What is the molecular weight of (Z)-2-(2,4-dichlorophenyl)-3-(6-ethoxy-1,3-benzodioxol-5-yl)prop-2-enenitrile?
The molecular weight of (Z)-2-(2,4-dichlorophenyl)-3-(6-ethoxy-1,3-benzodioxol-5-yl)prop-2-enenitrile is 361.03 g/mol.
Where can I buy (Z)-2-(2,4-dichlorophenyl)-3-(6-ethoxy-1,3-benzodioxol-5-yl)prop-2-enenitrile?
You can request a quote for (Z)-2-(2,4-dichlorophenyl)-3-(6-ethoxy-1,3-benzodioxol-5-yl)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 (Z)-2-(2,4-dichlorophenyl)-3-(6-ethoxy-1,3-benzodioxol-5-yl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (Z)-2-(2,4-dichlorophenyl)-3-(6-ethoxy-1,3-benzodioxol-5-yl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.