![3-Allyl-4-[(4-chlorobenzyl)oxy]-5-ethoxybenzonitrile structure](/static/products/102/1024180-76-4.png)
3-Allyl-4-[(4-chlorobenzyl)oxy]-5-ethoxybenzonitrile
TL;DR: 3-Allyl-4-[(4-chlorobenzyl)oxy]-5-ethoxybenzonitrile (CAS 1024180-76-4) is a chemical compound with molecular formula C19H18ClNO2 and molecular weight 327.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylbenzonitrile
Also Known As: 3-Allyl-4-(4-chloro-benzyloxy)-5-ethoxy-benzonitrile, 3-allyl-4-[(4-chlorobenzyl)oxy]-5-ethoxybenzonitrile, 4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-prop-2-enyl-benzonitrile, 4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylbenzonitrile
| Molecular Formula | C19H18ClNO2 |
|---|---|
| Molecular Weight | 327.10 g/mol |
| LogP | 4.91788 |
| Topological Polar Surface Area | 42.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 327.1026 |
| Heavy Atoms | 23 |
| Complexity | 717.3848 |
Chemical Identifiers
| CAS Number | 1024180-76-4 |
|---|---|
| SMILES | CCOC1=CC(=CC(=C1OCC2=CC=C(C=C2)Cl)CC=C)C#N |
Product Overview
3-Allyl-4-[(4-chlorobenzyl)oxy]-5-ethoxybenzonitrile (CAS 1024180-76-4), with molecular formula C19H18ClNO2 and molecular weight 327.10 g/mol. IUPAC: 4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylbenzonitrile.
Chemical Property Profile of 3-Allyl-4-[(4-chlorobenzyl)oxy]-5-ethoxybenzonitrile
Property Insights of 3-Allyl-4-[(4-chlorobenzyl)oxy]-5-ethoxybenzonitrile
The XLogP value of 4.91788 indicates that 3-Allyl-4-[(4-chlorobenzyl)oxy]-5-ethoxybenzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.25 Ų, 3-Allyl-4-[(4-chlorobenzyl)oxy]-5-ethoxybenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Allyl-4-[(4-chlorobenzyl)oxy]-5-ethoxybenzonitrile 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-Allyl-4-[(4-chlorobenzyl)oxy]-5-ethoxybenzonitrile?
The CAS number of 3-Allyl-4-[(4-chlorobenzyl)oxy]-5-ethoxybenzonitrile is 1024180-76-4.
What is the molecular formula of 3-Allyl-4-[(4-chlorobenzyl)oxy]-5-ethoxybenzonitrile?
The molecular formula of 3-Allyl-4-[(4-chlorobenzyl)oxy]-5-ethoxybenzonitrile is C19H18ClNO2.
What is the molecular weight of 3-Allyl-4-[(4-chlorobenzyl)oxy]-5-ethoxybenzonitrile?
The molecular weight of 3-Allyl-4-[(4-chlorobenzyl)oxy]-5-ethoxybenzonitrile is 327.10 g/mol.
Where can I buy 3-Allyl-4-[(4-chlorobenzyl)oxy]-5-ethoxybenzonitrile?
You can request a quote for 3-Allyl-4-[(4-chlorobenzyl)oxy]-5-ethoxybenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Allyl-4-[(4-chlorobenzyl)oxy]-5-ethoxybenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Allyl-4-[(4-chlorobenzyl)oxy]-5-ethoxybenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.