![2-[3-(4-Chloro-2-methylphenoxy)benzoyl]-3-(dimethylamino)prop-2-enenitrile structure](/static/products/1164/1164517-44-5.webp)
2-[3-(4-Chloro-2-methylphenoxy)benzoyl]-3-(dimethylamino)prop-2-enenitrile
TL;DR: 2-[3-(4-Chloro-2-methylphenoxy)benzoyl]-3-(dimethylamino)prop-2-enenitrile (CAS 1164517-44-5) is a chemical compound with molecular formula C19H17ClN2O2 and molecular weight 340.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(4-chloro-2-methylphenoxy)benzoyl]-3-(dimethylamino)prop-2-enenitrile
Also Known As: 2-[3-(4-chloro-2-methylphenoxy)benzoyl]-3-(dimethylamino)prop-2-enenitrile, (E)-2-[3-(4-chloro-2-methylphenoxy)benzoyl]-3-(dimethylamino)-2-propenenitrile
| Molecular Formula | C19H17ClN2O2 |
|---|---|
| Molecular Weight | 340.10 g/mol |
| LogP | 4.5925 |
| Topological Polar Surface Area | 53.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 340.09787 |
| Heavy Atoms | 24 |
| Complexity | 835.5007 |
Chemical Identifiers
| CAS Number | 1164517-44-5 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)OC2=CC=CC(=C2)C(=O)C(=CN(C)C)C#N |
Product Overview
2-[3-(4-Chloro-2-methylphenoxy)benzoyl]-3-(dimethylamino)prop-2-enenitrile (CAS 1164517-44-5), with molecular formula C19H17ClN2O2 and molecular weight 340.10 g/mol. IUPAC: 2-[3-(4-chloro-2-methylphenoxy)benzoyl]-3-(dimethylamino)prop-2-enenitrile.
Chemical Property Profile of 2-[3-(4-Chloro-2-methylphenoxy)benzoyl]-3-(dimethylamino)prop-2-enenitrile
Property Insights of 2-[3-(4-Chloro-2-methylphenoxy)benzoyl]-3-(dimethylamino)prop-2-enenitrile
The XLogP value of 4.5925 indicates that 2-[3-(4-Chloro-2-methylphenoxy)benzoyl]-3-(dimethylamino)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.33 Ų, 2-[3-(4-Chloro-2-methylphenoxy)benzoyl]-3-(dimethylamino)prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[3-(4-Chloro-2-methylphenoxy)benzoyl]-3-(dimethylamino)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 2-[3-(4-Chloro-2-methylphenoxy)benzoyl]-3-(dimethylamino)prop-2-enenitrile?
The CAS number of 2-[3-(4-Chloro-2-methylphenoxy)benzoyl]-3-(dimethylamino)prop-2-enenitrile is 1164517-44-5.
What is the molecular formula of 2-[3-(4-Chloro-2-methylphenoxy)benzoyl]-3-(dimethylamino)prop-2-enenitrile?
The molecular formula of 2-[3-(4-Chloro-2-methylphenoxy)benzoyl]-3-(dimethylamino)prop-2-enenitrile is C19H17ClN2O2.
What is the molecular weight of 2-[3-(4-Chloro-2-methylphenoxy)benzoyl]-3-(dimethylamino)prop-2-enenitrile?
The molecular weight of 2-[3-(4-Chloro-2-methylphenoxy)benzoyl]-3-(dimethylamino)prop-2-enenitrile is 340.10 g/mol.
Where can I buy 2-[3-(4-Chloro-2-methylphenoxy)benzoyl]-3-(dimethylamino)prop-2-enenitrile?
You can request a quote for 2-[3-(4-Chloro-2-methylphenoxy)benzoyl]-3-(dimethylamino)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 2-[3-(4-Chloro-2-methylphenoxy)benzoyl]-3-(dimethylamino)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[3-(4-Chloro-2-methylphenoxy)benzoyl]-3-(dimethylamino)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.