3-(Dimethylamino)-1-(furan-2-yl)propan-1-one
TL;DR: 3-(Dimethylamino)-1-(furan-2-yl)propan-1-one (CAS 52395-27-4) is a chemical compound with molecular formula C9H13NO2 and molecular weight 167.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(dimethylamino)-1-(furan-2-yl)propan-1-one
Also Known As: TimTec1_000242, 3-(dimethylamino)-1-(furan-2-yl)propan-1-one, 2-Furyl[2-(dimethylamino)ethyl] ketone
| Molecular Formula | C9H13NO2 |
|---|---|
| Molecular Weight | 167.09 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 33.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 167.09464 |
| Heavy Atoms | 12 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 52395-27-4 |
|---|---|
| SMILES | CN(C)CCC(=O)C1=CC=CO1 |
| InChIKey | JCGNZXDTKVRPCF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Dimethylamino)-1-(furan-2-yl)propan-1-one (CAS 52395-27-4), with molecular formula C9H13NO2 and molecular weight 167.09 g/mol. IUPAC: 3-(dimethylamino)-1-(furan-2-yl)propan-1-one.
Chemical Property Profile of 3-(Dimethylamino)-1-(furan-2-yl)propan-1-one
Property Insights of 3-(Dimethylamino)-1-(furan-2-yl)propan-1-one
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Dimethylamino)-1-(furan-2-yl)propan-1-one. With a topological polar surface area (TPSA) of 33.5 Ų, 3-(Dimethylamino)-1-(furan-2-yl)propan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Dimethylamino)-1-(furan-2-yl)propan-1-one 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-(furan-2-yl)propan-1-one?
The CAS number of 3-(Dimethylamino)-1-(furan-2-yl)propan-1-one is 52395-27-4.
What is the molecular formula of 3-(Dimethylamino)-1-(furan-2-yl)propan-1-one?
The molecular formula of 3-(Dimethylamino)-1-(furan-2-yl)propan-1-one is C9H13NO2.
What is the molecular weight of 3-(Dimethylamino)-1-(furan-2-yl)propan-1-one?
The molecular weight of 3-(Dimethylamino)-1-(furan-2-yl)propan-1-one is 167.09 g/mol.
Where can I buy 3-(Dimethylamino)-1-(furan-2-yl)propan-1-one?
You can request a quote for 3-(Dimethylamino)-1-(furan-2-yl)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 3-(Dimethylamino)-1-(furan-2-yl)propan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(Dimethylamino)-1-(furan-2-yl)propan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.