3-Bromo-4-oxo-4-(thiophen-2-yl)butanoate
TL;DR: 3-Bromo-4-oxo-4-(thiophen-2-yl)butanoate (CAS 53515-21-2) is a chemical compound with molecular formula C8H6BrO3S- and molecular weight 260.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R)-3-bromo-4-oxo-4-thiophen-2-ylbutanoate
Also Known As: 3-Bromo-4-oxo-4-(thiophen-2-yl)butanoate, (3R)-3-bromo-4-oxo-4-thiophen-2-ylbutanoate, (3R)-3-Bromo-4-oxo-4-(thiophen-2-yl)butanoate
| Molecular Formula | C8H6BrO3S- |
|---|---|
| Molecular Weight | 260.92 g/mol |
| LogP | 0.8343 |
| Topological Polar Surface Area | 57.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 260.9221 |
| Heavy Atoms | 13 |
| Complexity | 307.19885 |
Chemical Identifiers
| CAS Number | 53515-21-2 |
|---|---|
| SMILES | C1=CSC(=C1)C(=O)[C@@H](CC(=O)[O-])Br |
Product Overview
3-Bromo-4-oxo-4-(thiophen-2-yl)butanoate (CAS 53515-21-2), with molecular formula C8H6BrO3S- and molecular weight 260.92 g/mol. IUPAC: (3R)-3-bromo-4-oxo-4-thiophen-2-ylbutanoate.
Chemical Property Profile of 3-Bromo-4-oxo-4-(thiophen-2-yl)butanoate
Property Insights of 3-Bromo-4-oxo-4-(thiophen-2-yl)butanoate
The XLogP value of 0.8343 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-4-oxo-4-(thiophen-2-yl)butanoate. With a topological polar surface area (TPSA) of 57.2 Ų, 3-Bromo-4-oxo-4-(thiophen-2-yl)butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-4-oxo-4-(thiophen-2-yl)butanoate has 0 hydrogen bond donor(s) and 4 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-4-oxo-4-(thiophen-2-yl)butanoate?
The CAS number of 3-Bromo-4-oxo-4-(thiophen-2-yl)butanoate is 53515-21-2.
What is the molecular formula of 3-Bromo-4-oxo-4-(thiophen-2-yl)butanoate?
The molecular formula of 3-Bromo-4-oxo-4-(thiophen-2-yl)butanoate is C8H6BrO3S-.
What is the molecular weight of 3-Bromo-4-oxo-4-(thiophen-2-yl)butanoate?
The molecular weight of 3-Bromo-4-oxo-4-(thiophen-2-yl)butanoate is 260.92 g/mol.
Where can I buy 3-Bromo-4-oxo-4-(thiophen-2-yl)butanoate?
You can request a quote for 3-Bromo-4-oxo-4-(thiophen-2-yl)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-4-oxo-4-(thiophen-2-yl)butanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-4-oxo-4-(thiophen-2-yl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.