(Z)-2-(3-chlorophenyl)-3-(6-ethoxy-1,3-benzodioxol-5-yl)prop-2-enenitrile
TL;DR: (Z)-2-(3-chlorophenyl)-3-(6-ethoxy-1,3-benzodioxol-5-yl)prop-2-enenitrile (CAS 678536-60-2) is a chemical compound with molecular formula C18H14ClNO3 and molecular weight 327.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-2-(3-chlorophenyl)-3-(6-ethoxy-1,3-benzodioxol-5-yl)prop-2-enenitrile
Also Known As: (2Z)-2-(3-chlorophenyl)-3-(6-ethoxy-1,3-benzodioxol-5-yl)prop-2-enenitrile, (Z)-2-(3-chlorophenyl)-3-(6-ethoxy-1,3-benzodioxol-5-yl)prop-2-enenitrile
| Molecular Formula | C18H14ClNO3 |
|---|---|
| Molecular Weight | 327.07 g/mol |
| LogP | 4.53158 |
| Topological Polar Surface Area | 51.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.06622 |
| Heavy Atoms | 23 |
| Complexity | 808.39935 |
Chemical Identifiers
| CAS Number | 678536-60-2 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1/C=C(\C#N)/C3=CC(=CC=C3)Cl)OCO2 |
Product Overview
(Z)-2-(3-chlorophenyl)-3-(6-ethoxy-1,3-benzodioxol-5-yl)prop-2-enenitrile (CAS 678536-60-2), with molecular formula C18H14ClNO3 and molecular weight 327.07 g/mol. IUPAC: (Z)-2-(3-chlorophenyl)-3-(6-ethoxy-1,3-benzodioxol-5-yl)prop-2-enenitrile.
Chemical Property Profile of (Z)-2-(3-chlorophenyl)-3-(6-ethoxy-1,3-benzodioxol-5-yl)prop-2-enenitrile
Property Insights of (Z)-2-(3-chlorophenyl)-3-(6-ethoxy-1,3-benzodioxol-5-yl)prop-2-enenitrile
The XLogP value of 4.53158 indicates that (Z)-2-(3-chlorophenyl)-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-(3-chlorophenyl)-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-(3-chlorophenyl)-3-(6-ethoxy-1,3-benzodioxol-5-yl)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 (Z)-2-(3-chlorophenyl)-3-(6-ethoxy-1,3-benzodioxol-5-yl)prop-2-enenitrile?
The CAS number of (Z)-2-(3-chlorophenyl)-3-(6-ethoxy-1,3-benzodioxol-5-yl)prop-2-enenitrile is 678536-60-2.
What is the molecular formula of (Z)-2-(3-chlorophenyl)-3-(6-ethoxy-1,3-benzodioxol-5-yl)prop-2-enenitrile?
The molecular formula of (Z)-2-(3-chlorophenyl)-3-(6-ethoxy-1,3-benzodioxol-5-yl)prop-2-enenitrile is C18H14ClNO3.
What is the molecular weight of (Z)-2-(3-chlorophenyl)-3-(6-ethoxy-1,3-benzodioxol-5-yl)prop-2-enenitrile?
The molecular weight of (Z)-2-(3-chlorophenyl)-3-(6-ethoxy-1,3-benzodioxol-5-yl)prop-2-enenitrile is 327.07 g/mol.
Where can I buy (Z)-2-(3-chlorophenyl)-3-(6-ethoxy-1,3-benzodioxol-5-yl)prop-2-enenitrile?
You can request a quote for (Z)-2-(3-chlorophenyl)-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-(3-chlorophenyl)-3-(6-ethoxy-1,3-benzodioxol-5-yl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (Z)-2-(3-chlorophenyl)-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.