3-(Dimethylamino)-1-(2-thienyl)but-2-en-1-one
TL;DR: 3-(Dimethylamino)-1-(2-thienyl)but-2-en-1-one (CAS 112677-16-4) is a chemical compound with molecular formula C10H13NOS and molecular weight 195.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(dimethylamino)-1-thiophen-2-ylbut-2-en-1-one
Also Known As: 3-(dimethylamino)-1-(2-thienyl)-2-buten-1-one, 3-(dimethylamino)-1-(2-thienyl)but-2-en-1-one, 3-(dimethylamino)-1-thiophen-2-ylbut-2-en-1-one, 3-(Dimethylamino)-1-(thiophen-2-yl)but-2-en-1-one, (2E)-3-(dimethylamino)-1-(thiophen-2-yl)but-2-en-1-one
| Molecular Formula | C10H13NOS |
|---|---|
| Molecular Weight | 195.07 g/mol |
| LogP | 2.3962 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 195.0718 |
| Heavy Atoms | 13 |
| Complexity | 311.67557 |
Chemical Identifiers
| CAS Number | 112677-16-4 |
|---|---|
| SMILES | CC(=CC(=O)C1=CC=CS1)N(C)C |
Product Overview
3-(Dimethylamino)-1-(2-thienyl)but-2-en-1-one (CAS 112677-16-4), with molecular formula C10H13NOS and molecular weight 195.07 g/mol. IUPAC: 3-(dimethylamino)-1-thiophen-2-ylbut-2-en-1-one.
Chemical Property Profile of 3-(Dimethylamino)-1-(2-thienyl)but-2-en-1-one
Property Insights of 3-(Dimethylamino)-1-(2-thienyl)but-2-en-1-one
The XLogP value of 2.3962 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Dimethylamino)-1-(2-thienyl)but-2-en-1-one. With a topological polar surface area (TPSA) of 20.31 Ų, 3-(Dimethylamino)-1-(2-thienyl)but-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Dimethylamino)-1-(2-thienyl)but-2-en-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-(2-thienyl)but-2-en-1-one?
The CAS number of 3-(Dimethylamino)-1-(2-thienyl)but-2-en-1-one is 112677-16-4.
What is the molecular formula of 3-(Dimethylamino)-1-(2-thienyl)but-2-en-1-one?
The molecular formula of 3-(Dimethylamino)-1-(2-thienyl)but-2-en-1-one is C10H13NOS.
What is the molecular weight of 3-(Dimethylamino)-1-(2-thienyl)but-2-en-1-one?
The molecular weight of 3-(Dimethylamino)-1-(2-thienyl)but-2-en-1-one is 195.07 g/mol.
Where can I buy 3-(Dimethylamino)-1-(2-thienyl)but-2-en-1-one?
You can request a quote for 3-(Dimethylamino)-1-(2-thienyl)but-2-en-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-(2-thienyl)but-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(Dimethylamino)-1-(2-thienyl)but-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.