(E)-1-(4,5-dibromo-2-thienyl)-3-(dimethylamino)-2-propen-1-one
TL;DR: (E)-1-(4,5-dibromo-2-thienyl)-3-(dimethylamino)-2-propen-1-one (CAS 900019-43-4) is a chemical compound with molecular formula C9H9Br2NOS and molecular weight 336.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4,5-dibromothiophen-2-yl)-3-(dimethylamino)prop-2-en-1-one
Also Known As: (E)-1-(4,5-dibromo-2-thienyl)-3-(dimethylamino)-2-propen-1-one, 1-(4,5-dibromo-2-thienyl)-3-(dimethylamino)prop-2-en-1-one, 1-(4,5-dibromothiophen-2-yl)-3-(dimethylamino)prop-2-en-1-one, 2-Propen-1-one, 1-(4,5-dibromo-2-thienyl)-3-(dimethylamino)-, C9H9Br2NOS
| Molecular Formula | C9H9Br2NOS |
|---|---|
| Molecular Weight | 336.88 g/mol |
| LogP | 3.5311 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 336.87717 |
| Heavy Atoms | 14 |
| Complexity | 351.38892 |
Chemical Identifiers
| CAS Number | 900019-43-4 |
|---|---|
| SMILES | CN(C)C=CC(=O)C1=CC(=C(S1)Br)Br |
Product Overview
(E)-1-(4,5-dibromo-2-thienyl)-3-(dimethylamino)-2-propen-1-one (CAS 900019-43-4), with molecular formula C9H9Br2NOS and molecular weight 336.88 g/mol. IUPAC: 1-(4,5-dibromothiophen-2-yl)-3-(dimethylamino)prop-2-en-1-one.
Chemical Property Profile of (E)-1-(4,5-dibromo-2-thienyl)-3-(dimethylamino)-2-propen-1-one
Property Insights of (E)-1-(4,5-dibromo-2-thienyl)-3-(dimethylamino)-2-propen-1-one
The XLogP value of 3.5311 indicates that (E)-1-(4,5-dibromo-2-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 20.31 Ų, (E)-1-(4,5-dibromo-2-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-(4,5-dibromo-2-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-(4,5-dibromo-2-thienyl)-3-(dimethylamino)-2-propen-1-one?
The CAS number of (E)-1-(4,5-dibromo-2-thienyl)-3-(dimethylamino)-2-propen-1-one is 900019-43-4.
What is the molecular formula of (E)-1-(4,5-dibromo-2-thienyl)-3-(dimethylamino)-2-propen-1-one?
The molecular formula of (E)-1-(4,5-dibromo-2-thienyl)-3-(dimethylamino)-2-propen-1-one is C9H9Br2NOS.
What is the molecular weight of (E)-1-(4,5-dibromo-2-thienyl)-3-(dimethylamino)-2-propen-1-one?
The molecular weight of (E)-1-(4,5-dibromo-2-thienyl)-3-(dimethylamino)-2-propen-1-one is 336.88 g/mol.
Where can I buy (E)-1-(4,5-dibromo-2-thienyl)-3-(dimethylamino)-2-propen-1-one?
You can request a quote for (E)-1-(4,5-dibromo-2-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-(4,5-dibromo-2-thienyl)-3-(dimethylamino)-2-propen-1-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-1-(4,5-dibromo-2-thienyl)-3-(dimethylamino)-2-propen-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.