![2-[4-(3-Chlorophenoxy)benzoyl]-3-(dimethylamino)prop-2-enenitrile structure](/static/products/1365/136562-98-6.webp)
2-[4-(3-Chlorophenoxy)benzoyl]-3-(dimethylamino)prop-2-enenitrile
TL;DR: 2-[4-(3-Chlorophenoxy)benzoyl]-3-(dimethylamino)prop-2-enenitrile (CAS 136562-98-6) is a chemical compound with molecular formula C18H15ClN2O2 and molecular weight 326.0822 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-(3-chlorophenoxy)benzoyl]-3-(dimethylamino)prop-2-enenitrile
Also Known As: 2-[4-(3-chlorophenoxy)benzoyl]-3-(dimethylamino)prop-2-enenitrile, (E)-2-[4-(3-chlorophenoxy)benzoyl]-3-(dimethylamino)-2-propenenitrile
Technical Specifications
| Molecular Formula | C18H15ClN2O2 |
| Molecular Weight | 326.0822 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 53.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 326.0822 Da |
| Heavy Atoms | 23 |
| Complexity | 486.0 |
| SMILES | CN(C)C=C(C#N)C(=O)C1=CC=C(C=C1)OC2=CC(=CC=C2)Cl |
| InChIKey | XQKRAZCTSMARJM-UHFFFAOYSA-N |
Chemical Property Profile of 2-[4-(3-Chlorophenoxy)benzoyl]-3-(dimethylamino)prop-2-enenitrile
Property Insights of 2-[4-(3-Chlorophenoxy)benzoyl]-3-(dimethylamino)prop-2-enenitrile
The XLogP value of 4.1 indicates that 2-[4-(3-Chlorophenoxy)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 53.3 Ų, 2-[4-(3-Chlorophenoxy)benzoyl]-3-(dimethylamino)prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[4-(3-Chlorophenoxy)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
What is the CAS number of 2-[4-(3-Chlorophenoxy)benzoyl]-3-(dimethylamino)prop-2-enenitrile?
The CAS number of 2-[4-(3-Chlorophenoxy)benzoyl]-3-(dimethylamino)prop-2-enenitrile is 136562-98-6.
What is the molecular formula of 2-[4-(3-Chlorophenoxy)benzoyl]-3-(dimethylamino)prop-2-enenitrile?
The molecular formula of 2-[4-(3-Chlorophenoxy)benzoyl]-3-(dimethylamino)prop-2-enenitrile is C18H15ClN2O2.
What is the molecular weight of 2-[4-(3-Chlorophenoxy)benzoyl]-3-(dimethylamino)prop-2-enenitrile?
The molecular weight of 2-[4-(3-Chlorophenoxy)benzoyl]-3-(dimethylamino)prop-2-enenitrile is 326.0822 g/mol.
Where can I buy 2-[4-(3-Chlorophenoxy)benzoyl]-3-(dimethylamino)prop-2-enenitrile?
You can request a quote for 2-[4-(3-Chlorophenoxy)benzoyl]-3-(dimethylamino)prop-2-enenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[4-(3-Chlorophenoxy)benzoyl]-3-(dimethylamino)prop-2-enenitrile?
Yes, CoreyChem provides custom synthesis services for 2-[4-(3-Chlorophenoxy)benzoyl]-3-(dimethylamino)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.