1-(3,4-Dichlorophenyl)-3-(dimethylamino)propan-1-one
TL;DR: 1-(3,4-Dichlorophenyl)-3-(dimethylamino)propan-1-one (CAS 50516-63-7) is a chemical compound with molecular formula C11H13Cl2NO and molecular weight 245.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dichlorophenyl)-3-(dimethylamino)propan-1-one
Also Known As: Antitrypanosomal agent 1, 1-(3,4-dichlorophenyl)-3-(dimethylamino)propan-1-one, Methyl-14-hydroxy-tetradecanoat, 1-Propanone, 1-(3,4-dichlorophenyl)-3-(dimethylamino)-, 1-(3,4-Dichlorophenyl)-3-(dimethylamino)-1-propanone
| Molecular Formula | C11H13Cl2NO |
|---|---|
| Molecular Weight | 245.04 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 245.03741 |
| Heavy Atoms | 15 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 50516-63-7 |
|---|---|
| SMILES | CN(C)CCC(=O)C1=CC(=C(C=C1)Cl)Cl |
| InChIKey | LZXMNZWXKWSYMY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(3,4-Dichlorophenyl)-3-(dimethylamino)propan-1-one (CAS 50516-63-7), with molecular formula C11H13Cl2NO and molecular weight 245.04 g/mol. IUPAC: 1-(3,4-dichlorophenyl)-3-(dimethylamino)propan-1-one.
Chemical Property Profile of 1-(3,4-Dichlorophenyl)-3-(dimethylamino)propan-1-one
Property Insights of 1-(3,4-Dichlorophenyl)-3-(dimethylamino)propan-1-one
The XLogP value of 3.0 indicates that 1-(3,4-Dichlorophenyl)-3-(dimethylamino)propan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.3 Ų, 1-(3,4-Dichlorophenyl)-3-(dimethylamino)propan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,4-Dichlorophenyl)-3-(dimethylamino)propan-1-one 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 1-(3,4-Dichlorophenyl)-3-(dimethylamino)propan-1-one?
The CAS number of 1-(3,4-Dichlorophenyl)-3-(dimethylamino)propan-1-one is 50516-63-7.
What is the molecular formula of 1-(3,4-Dichlorophenyl)-3-(dimethylamino)propan-1-one?
The molecular formula of 1-(3,4-Dichlorophenyl)-3-(dimethylamino)propan-1-one is C11H13Cl2NO.
What is the molecular weight of 1-(3,4-Dichlorophenyl)-3-(dimethylamino)propan-1-one?
The molecular weight of 1-(3,4-Dichlorophenyl)-3-(dimethylamino)propan-1-one is 245.04 g/mol.
Where can I buy 1-(3,4-Dichlorophenyl)-3-(dimethylamino)propan-1-one?
You can request a quote for 1-(3,4-Dichlorophenyl)-3-(dimethylamino)propan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,4-Dichlorophenyl)-3-(dimethylamino)propan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-Dichlorophenyl)-3-(dimethylamino)propan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.