1-(5-bromo-2-thienyl)-3-(dimethylamino)-2-propen-1-one
TL;DR: 1-(5-bromo-2-thienyl)-3-(dimethylamino)-2-propen-1-one (CAS 938176-46-6) is a chemical compound with molecular formula C9H10BrNOS and molecular weight 258.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-bromothiophen-2-yl)-3-(dimethylamino)prop-2-en-1-one
Also Known As: 1-(5-bromo-2-thienyl)-3-(dimethylamino)-2-propen-1-one, Propenone, 1-(5-bromo-2-thienyl)-3-dimethylamino-, 1-(5-bromothiophen-2-yl)-3-(dimethylamino)prop-2-en-1-one
| Molecular Formula | C9H10BrNOS |
|---|---|
| Molecular Weight | 258.97 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 48.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.96664 |
| Heavy Atoms | 13 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 938176-46-6 |
|---|---|
| SMILES | CN(C)C=CC(=O)C1=CC=C(S1)Br |
| InChIKey | BBLJXHPQUXMDFA-UHFFFAOYSA-N |
Product Overview
1-(5-bromo-2-thienyl)-3-(dimethylamino)-2-propen-1-one (CAS 938176-46-6), with molecular formula C9H10BrNOS and molecular weight 258.97 g/mol. IUPAC: 1-(5-bromothiophen-2-yl)-3-(dimethylamino)prop-2-en-1-one.
Chemical Property Profile of 1-(5-bromo-2-thienyl)-3-(dimethylamino)-2-propen-1-one
Property Insights of 1-(5-bromo-2-thienyl)-3-(dimethylamino)-2-propen-1-one
The XLogP value of 3.0 indicates that 1-(5-bromo-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 48.6 Ų, 1-(5-bromo-2-thienyl)-3-(dimethylamino)-2-propen-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(5-bromo-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 1-(5-bromo-2-thienyl)-3-(dimethylamino)-2-propen-1-one?
The CAS number of 1-(5-bromo-2-thienyl)-3-(dimethylamino)-2-propen-1-one is 938176-46-6.
What is the molecular formula of 1-(5-bromo-2-thienyl)-3-(dimethylamino)-2-propen-1-one?
The molecular formula of 1-(5-bromo-2-thienyl)-3-(dimethylamino)-2-propen-1-one is C9H10BrNOS.
What is the molecular weight of 1-(5-bromo-2-thienyl)-3-(dimethylamino)-2-propen-1-one?
The molecular weight of 1-(5-bromo-2-thienyl)-3-(dimethylamino)-2-propen-1-one is 258.97 g/mol.
Where can I buy 1-(5-bromo-2-thienyl)-3-(dimethylamino)-2-propen-1-one?
You can request a quote for 1-(5-bromo-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 1-(5-bromo-2-thienyl)-3-(dimethylamino)-2-propen-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-bromo-2-thienyl)-3-(dimethylamino)-2-propen-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.