3-(Dimethylamino)-1-(2-thienyl)-1-propanone
TL;DR: 3-(Dimethylamino)-1-(2-thienyl)-1-propanone (CAS 5424-47-5) is a chemical compound with molecular formula C9H13NOS and molecular weight 183.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(dimethylamino)-1-thiophen-2-ylpropan-1-one
Also Known As: Duloxetine IMpurity 10, 3-(dimethylamino)-1-(thiophen-2-yl)propan-1-one, Duloxetine Impurity 17, 3-(dimethylamino)-1-(2-thienyl)-1-propanone, 3-dimethylamino-1-(2-thienyl)-1-propanone
| Molecular Formula | C9H13NOS |
|---|---|
| Molecular Weight | 183.07 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 48.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 183.0718 |
| Heavy Atoms | 12 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 5424-47-5 |
|---|---|
| SMILES | CN(C)CCC(=O)C1=CC=CS1 |
| InChIKey | JNMZUWJMJSKMON-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Dimethylamino)-1-(2-thienyl)-1-propanone (CAS 5424-47-5), with molecular formula C9H13NOS and molecular weight 183.07 g/mol. IUPAC: 3-(dimethylamino)-1-thiophen-2-ylpropan-1-one.
Chemical Property Profile of 3-(Dimethylamino)-1-(2-thienyl)-1-propanone
Property Insights of 3-(Dimethylamino)-1-(2-thienyl)-1-propanone
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Dimethylamino)-1-(2-thienyl)-1-propanone. With a topological polar surface area (TPSA) of 48.6 Ų, 3-(Dimethylamino)-1-(2-thienyl)-1-propanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Dimethylamino)-1-(2-thienyl)-1-propanone has 0 hydrogen bond donor(s) and 3 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 3-(Dimethylamino)-1-(2-thienyl)-1-propanone?
The CAS number of 3-(Dimethylamino)-1-(2-thienyl)-1-propanone is 5424-47-5.
What is the molecular formula of 3-(Dimethylamino)-1-(2-thienyl)-1-propanone?
The molecular formula of 3-(Dimethylamino)-1-(2-thienyl)-1-propanone is C9H13NOS.
What is the molecular weight of 3-(Dimethylamino)-1-(2-thienyl)-1-propanone?
The molecular weight of 3-(Dimethylamino)-1-(2-thienyl)-1-propanone is 183.07 g/mol.
Where can I buy 3-(Dimethylamino)-1-(2-thienyl)-1-propanone?
You can request a quote for 3-(Dimethylamino)-1-(2-thienyl)-1-propanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Dimethylamino)-1-(2-thienyl)-1-propanone?
Yes, KEHONG BIO provides custom synthesis services for 3-(Dimethylamino)-1-(2-thienyl)-1-propanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.