methanone structure](/static/products/5277/52779-83-6.webp)
[4-(1-Bromoethyl)phenyl](thiophen-2-yl)methanone
TL;DR: [4-(1-Bromoethyl)phenyl](thiophen-2-yl)methanone (CAS 52779-83-6) is a chemical compound with molecular formula C13H11BrOS and molecular weight 293.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(1-bromoethyl)phenyl]-thiophen-2-ylmethanone
Also Known As: [4-(1-bromoethyl)phenyl](thiophen-2-yl)methanone|KST-1A5550|(4-(1-Bromoethyl)phenyl)-2-thienyl ketone|<4-(1-Bromethyl)phenyl>(2-thienyl)methanon|[4-(1-bromoethyl)phenyl]-2-thienyl ketone|[4-(1-Bromoethyl)phenyl ]-2-thienyl ketone|[4-(1-Bromoethyl)phenyl]-2-thienylmethanone|[4-(1-bromoethyl)phenyl]-thiophen-2-ylmethanone|(4-(1-bromoethyl)phenyl)(thiophen-2-yl)methanone|alpha-bromo-alpha-methyl-p-tolyl 2-thienyl ketone
| Molecular Formula | C13H11BrOS |
|---|---|
| Molecular Weight | 293.97 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 45.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 293.9714 |
| Heavy Atoms | 16 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 52779-83-6 |
|---|---|
| SMILES | CC(C1=CC=C(C=C1)C(=O)C2=CC=CS2)Br |
| InChIKey | GTJYMGWDCMZGCW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
[4-(1-Bromoethyl)phenyl](thiophen-2-yl)methanone (CAS 52779-83-6), with molecular formula C13H11BrOS and molecular weight 293.97 g/mol. IUPAC: [4-(1-bromoethyl)phenyl]-thiophen-2-ylmethanone.
Chemical Property Profile of [4-(1-Bromoethyl)phenyl](thiophen-2-yl)methanone
Property Insights of [4-(1-Bromoethyl)phenyl](thiophen-2-yl)methanone
The XLogP value of 4.2 indicates that [4-(1-Bromoethyl)phenyl](thiophen-2-yl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.3 Ų, [4-(1-Bromoethyl)phenyl](thiophen-2-yl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [4-(1-Bromoethyl)phenyl](thiophen-2-yl)methanone 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 [4-(1-Bromoethyl)phenyl](thiophen-2-yl)methanone?
The CAS number of [4-(1-Bromoethyl)phenyl](thiophen-2-yl)methanone is 52779-83-6.
What is the molecular formula of [4-(1-Bromoethyl)phenyl](thiophen-2-yl)methanone?
The molecular formula of [4-(1-Bromoethyl)phenyl](thiophen-2-yl)methanone is C13H11BrOS.
What is the molecular weight of [4-(1-Bromoethyl)phenyl](thiophen-2-yl)methanone?
The molecular weight of [4-(1-Bromoethyl)phenyl](thiophen-2-yl)methanone is 293.97 g/mol.
Where can I buy [4-(1-Bromoethyl)phenyl](thiophen-2-yl)methanone?
You can request a quote for [4-(1-Bromoethyl)phenyl](thiophen-2-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-(1-Bromoethyl)phenyl](thiophen-2-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for [4-(1-Bromoethyl)phenyl](thiophen-2-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.