2',5'-Dichloro-3-dimethylaminoacrylophenone
TL;DR: 2',5'-Dichloro-3-dimethylaminoacrylophenone (CAS 96604-24-9) is a chemical compound with molecular formula C11H11Cl2NO and molecular weight 243.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,5-dichlorophenyl)-3-(dimethylamino)prop-2-en-1-one
Also Known As: 1-(2,5-dichlorophenyl)-3-(dimethylamino)prop-2-en-1-one, 2',5'-dichloro-3-dimethylaminoacrylophenone, 2', 5'-dichloro-3-dimethylaminoacrylophenone, 1-(2,5-Dichlorophenyl)-3-(dimethylamino)-2-propen-1-one
| Molecular Formula | C11H11Cl2NO |
|---|---|
| Molecular Weight | 243.02 g/mol |
| LogP | 3.2514 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 243.02177 |
| Heavy Atoms | 15 |
| Complexity | 399.57443 |
Chemical Identifiers
| CAS Number | 96604-24-9 |
|---|---|
| SMILES | CN(C)C=CC(=O)C1=C(C=CC(=C1)Cl)Cl |
Product Overview
2',5'-Dichloro-3-dimethylaminoacrylophenone (CAS 96604-24-9), with molecular formula C11H11Cl2NO and molecular weight 243.02 g/mol. IUPAC: 1-(2,5-dichlorophenyl)-3-(dimethylamino)prop-2-en-1-one.
Chemical Property Profile of 2',5'-Dichloro-3-dimethylaminoacrylophenone
Property Insights of 2',5'-Dichloro-3-dimethylaminoacrylophenone
The XLogP value of 3.2514 indicates that 2',5'-Dichloro-3-dimethylaminoacrylophenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, 2',5'-Dichloro-3-dimethylaminoacrylophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2',5'-Dichloro-3-dimethylaminoacrylophenone has 0 hydrogen bond donor(s) and 2 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',5'-Dichloro-3-dimethylaminoacrylophenone?
The CAS number of 2',5'-Dichloro-3-dimethylaminoacrylophenone is 96604-24-9.
What is the molecular formula of 2',5'-Dichloro-3-dimethylaminoacrylophenone?
The molecular formula of 2',5'-Dichloro-3-dimethylaminoacrylophenone is C11H11Cl2NO.
What is the molecular weight of 2',5'-Dichloro-3-dimethylaminoacrylophenone?
The molecular weight of 2',5'-Dichloro-3-dimethylaminoacrylophenone is 243.02 g/mol.
Where can I buy 2',5'-Dichloro-3-dimethylaminoacrylophenone?
You can request a quote for 2',5'-Dichloro-3-dimethylaminoacrylophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2',5'-Dichloro-3-dimethylaminoacrylophenone?
Yes, KEHONG BIO provides custom synthesis services for 2',5'-Dichloro-3-dimethylaminoacrylophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.