(2E)-1-(5-bromothiophen-2-yl)-3-(dimethylamino)prop-2-en-1-one
TL;DR: (2E)-1-(5-bromothiophen-2-yl)-3-(dimethylamino)prop-2-en-1-one (CAS 138716-17-3) is a chemical compound with molecular formula C9H10BrNOS and molecular weight 258.96664 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-1-(5-bromothiophen-2-yl)-3-(dimethylamino)prop-2-en-1-one
Also Known As: (2E)-1-(5-bromothiophen-2-yl)-3-(dimethylamino)prop-2-en-1-one, 1-(5-bromo-2-thienyl)-3-(dimethylamino)-2-propen-1-one, (E)-1-(5-bromothiophen-2-yl)-3-(dimethylamino)prop-2-en-1-one, J2.786.529A, Propenone, 1-(5-bromo-2-thienyl)-3-dimethylamino-
Technical Specifications
| Molecular Formula | C9H10BrNOS |
| Molecular Weight | 258.96664 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 48.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.96664 Da |
| Heavy Atoms | 13 |
| Complexity | 218.0 |
| SMILES | CN(C)/C=C/C(=O)C1=CC=C(S1)Br |
| InChIKey | BBLJXHPQUXMDFA-AATRIKPKSA-N |
Chemical Property Profile of (2E)-1-(5-bromothiophen-2-yl)-3-(dimethylamino)prop-2-en-1-one
Property Insights of (2E)-1-(5-bromothiophen-2-yl)-3-(dimethylamino)prop-2-en-1-one
The XLogP value of 3.0 indicates that (2E)-1-(5-bromothiophen-2-yl)-3-(dimethylamino)prop-2-en-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, (2E)-1-(5-bromothiophen-2-yl)-3-(dimethylamino)prop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-1-(5-bromothiophen-2-yl)-3-(dimethylamino)prop-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
What is the CAS number of (2E)-1-(5-bromothiophen-2-yl)-3-(dimethylamino)prop-2-en-1-one?
The CAS number of (2E)-1-(5-bromothiophen-2-yl)-3-(dimethylamino)prop-2-en-1-one is 138716-17-3.
What is the molecular formula of (2E)-1-(5-bromothiophen-2-yl)-3-(dimethylamino)prop-2-en-1-one?
The molecular formula of (2E)-1-(5-bromothiophen-2-yl)-3-(dimethylamino)prop-2-en-1-one is C9H10BrNOS.
What is the molecular weight of (2E)-1-(5-bromothiophen-2-yl)-3-(dimethylamino)prop-2-en-1-one?
The molecular weight of (2E)-1-(5-bromothiophen-2-yl)-3-(dimethylamino)prop-2-en-1-one is 258.96664 g/mol.
Where can I buy (2E)-1-(5-bromothiophen-2-yl)-3-(dimethylamino)prop-2-en-1-one?
You can request a quote for (2E)-1-(5-bromothiophen-2-yl)-3-(dimethylamino)prop-2-en-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2E)-1-(5-bromothiophen-2-yl)-3-(dimethylamino)prop-2-en-1-one?
Yes, CoreyChem provides custom synthesis services for (2E)-1-(5-bromothiophen-2-yl)-3-(dimethylamino)prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.