1-(2-Chlorophenyl)-3-(dimethylamino)propan-1-one
TL;DR: 1-(2-Chlorophenyl)-3-(dimethylamino)propan-1-one (CAS 91131-19-0) is a chemical compound with molecular formula C11H14ClNO and molecular weight 211.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chlorophenyl)-3-(dimethylamino)propan-1-one
Also Known As: NCIOpen2_003532, 1-(2-chlorophenyl)-3-(dimethylamino)propan-1-one, 2 -Chloro-beta-(dimethylamino)propiophenone, 1-Propanone, 1-(2-chlorophenyl)-3-(dimethylamino), 3-(dimethylamino)-1-(2-chlorophenyl)propan-1-one
| Molecular Formula | C11H14ClNO |
|---|---|
| Molecular Weight | 211.08 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 211.07639 |
| Heavy Atoms | 14 |
| Complexity | 194.0 |
Chemical Identifiers
| CAS Number | 91131-19-0 |
|---|---|
| SMILES | CN(C)CCC(=O)C1=CC=CC=C1Cl |
| InChIKey | MERTXJZVANXCIY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(2-Chlorophenyl)-3-(dimethylamino)propan-1-one (CAS 91131-19-0), with molecular formula C11H14ClNO and molecular weight 211.08 g/mol. IUPAC: 1-(2-chlorophenyl)-3-(dimethylamino)propan-1-one.
Chemical Property Profile of 1-(2-Chlorophenyl)-3-(dimethylamino)propan-1-one
Property Insights of 1-(2-Chlorophenyl)-3-(dimethylamino)propan-1-one
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Chlorophenyl)-3-(dimethylamino)propan-1-one. With a topological polar surface area (TPSA) of 20.3 Ų, 1-(2-Chlorophenyl)-3-(dimethylamino)propan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Chlorophenyl)-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-(2-Chlorophenyl)-3-(dimethylamino)propan-1-one?
The CAS number of 1-(2-Chlorophenyl)-3-(dimethylamino)propan-1-one is 91131-19-0.
What is the molecular formula of 1-(2-Chlorophenyl)-3-(dimethylamino)propan-1-one?
The molecular formula of 1-(2-Chlorophenyl)-3-(dimethylamino)propan-1-one is C11H14ClNO.
What is the molecular weight of 1-(2-Chlorophenyl)-3-(dimethylamino)propan-1-one?
The molecular weight of 1-(2-Chlorophenyl)-3-(dimethylamino)propan-1-one is 211.08 g/mol.
Where can I buy 1-(2-Chlorophenyl)-3-(dimethylamino)propan-1-one?
You can request a quote for 1-(2-Chlorophenyl)-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-(2-Chlorophenyl)-3-(dimethylamino)propan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Chlorophenyl)-3-(dimethylamino)propan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.