(E)-1-(2,5-dichloro-3-thienyl)-3-(dimethylamino)-2-propen-1-one
TL;DR: (E)-1-(2,5-dichloro-3-thienyl)-3-(dimethylamino)-2-propen-1-one (CAS 166196-79-8) is a chemical compound with molecular formula C9H9Cl2NOS and molecular weight 248.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,5-dichlorothiophen-3-yl)-3-(dimethylamino)prop-2-en-1-one
Also Known As: (E)-1-(2,5-dichloro-3-thienyl)-3-(dimethylamino)-2-propen-1-one, 1-(2,5-dichlorothiophen-3-yl)-3-(dimethylamino)prop-2-en-1-one, (E)-1-(2,5-dichlorothiophen-3-yl)-3-(dimethylamino)prop-2-en-1-one
| Molecular Formula | C9H9Cl2NOS |
|---|---|
| Molecular Weight | 248.98 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 48.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.9782 |
| Heavy Atoms | 14 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 166196-79-8 |
|---|---|
| SMILES | CN(C)C=CC(=O)C1=C(SC(=C1)Cl)Cl |
| InChIKey | ONHIYXCGAJUJID-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(E)-1-(2,5-dichloro-3-thienyl)-3-(dimethylamino)-2-propen-1-one (CAS 166196-79-8), with molecular formula C9H9Cl2NOS and molecular weight 248.98 g/mol. IUPAC: 1-(2,5-dichlorothiophen-3-yl)-3-(dimethylamino)prop-2-en-1-one.
Chemical Property Profile of (E)-1-(2,5-dichloro-3-thienyl)-3-(dimethylamino)-2-propen-1-one
Property Insights of (E)-1-(2,5-dichloro-3-thienyl)-3-(dimethylamino)-2-propen-1-one
The XLogP value of 3.6 indicates that (E)-1-(2,5-dichloro-3-thienyl)-3-(dimethylamino)-2-propen-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.6 Ų, (E)-1-(2,5-dichloro-3-thienyl)-3-(dimethylamino)-2-propen-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-1-(2,5-dichloro-3-thienyl)-3-(dimethylamino)-2-propen-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 (E)-1-(2,5-dichloro-3-thienyl)-3-(dimethylamino)-2-propen-1-one?
The CAS number of (E)-1-(2,5-dichloro-3-thienyl)-3-(dimethylamino)-2-propen-1-one is 166196-79-8.
What is the molecular formula of (E)-1-(2,5-dichloro-3-thienyl)-3-(dimethylamino)-2-propen-1-one?
The molecular formula of (E)-1-(2,5-dichloro-3-thienyl)-3-(dimethylamino)-2-propen-1-one is C9H9Cl2NOS.
What is the molecular weight of (E)-1-(2,5-dichloro-3-thienyl)-3-(dimethylamino)-2-propen-1-one?
The molecular weight of (E)-1-(2,5-dichloro-3-thienyl)-3-(dimethylamino)-2-propen-1-one is 248.98 g/mol.
Where can I buy (E)-1-(2,5-dichloro-3-thienyl)-3-(dimethylamino)-2-propen-1-one?
You can request a quote for (E)-1-(2,5-dichloro-3-thienyl)-3-(dimethylamino)-2-propen-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-1-(2,5-dichloro-3-thienyl)-3-(dimethylamino)-2-propen-1-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-1-(2,5-dichloro-3-thienyl)-3-(dimethylamino)-2-propen-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.