3-Bromo-5-(ethylcarbonyl)-2-methylthiophene
TL;DR: 3-Bromo-5-(ethylcarbonyl)-2-methylthiophene (CAS 887576-01-4) is a chemical compound with molecular formula C8H9BrOS and molecular weight 231.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromo-5-methylthiophen-2-yl)propan-1-one
Also Known As: 3-Bromo-5-(ethylcarbonyl)-2-methylthiophene, 1-(4-bromo-5-methylthiophen-2-yl)propan-1-one, 1-(4-Bromo-5-methyl-2-thienyl)-1-propanone, 1-(4-bromo-5-methyl-2-thienyl)propan-1-one, 1-(4-bromo-5-methylthien-2-yl)propan-1-one
| Molecular Formula | C8H9BrOS |
|---|---|
| Molecular Weight | 231.96 g/mol |
| LogP | 3.41172 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.95575 |
| Heavy Atoms | 11 |
| Complexity | 258.11948 |
Chemical Identifiers
| CAS Number | 887576-01-4 |
|---|---|
| SMILES | CCC(=O)C1=CC(=C(S1)C)Br |
Product Overview
3-Bromo-5-(ethylcarbonyl)-2-methylthiophene (CAS 887576-01-4), with molecular formula C8H9BrOS and molecular weight 231.96 g/mol. IUPAC: 1-(4-bromo-5-methylthiophen-2-yl)propan-1-one.
Chemical Property Profile of 3-Bromo-5-(ethylcarbonyl)-2-methylthiophene
Property Insights of 3-Bromo-5-(ethylcarbonyl)-2-methylthiophene
The XLogP value of 3.41172 indicates that 3-Bromo-5-(ethylcarbonyl)-2-methylthiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 3-Bromo-5-(ethylcarbonyl)-2-methylthiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-5-(ethylcarbonyl)-2-methylthiophene has 0 hydrogen bond donor(s) and 2 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-Bromo-5-(ethylcarbonyl)-2-methylthiophene?
The CAS number of 3-Bromo-5-(ethylcarbonyl)-2-methylthiophene is 887576-01-4.
What is the molecular formula of 3-Bromo-5-(ethylcarbonyl)-2-methylthiophene?
The molecular formula of 3-Bromo-5-(ethylcarbonyl)-2-methylthiophene is C8H9BrOS.
What is the molecular weight of 3-Bromo-5-(ethylcarbonyl)-2-methylthiophene?
The molecular weight of 3-Bromo-5-(ethylcarbonyl)-2-methylthiophene is 231.96 g/mol.
Where can I buy 3-Bromo-5-(ethylcarbonyl)-2-methylthiophene?
You can request a quote for 3-Bromo-5-(ethylcarbonyl)-2-methylthiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-5-(ethylcarbonyl)-2-methylthiophene?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-5-(ethylcarbonyl)-2-methylthiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.