4-(4,5-dibromothien-3-yl)but-3-en-2-one
TL;DR: 4-(4,5-dibromothien-3-yl)but-3-en-2-one (CAS 887575-84-0) is a chemical compound with molecular formula C8H6Br2OS and molecular weight 307.85 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4,5-dibromothiophen-3-yl)but-3-en-2-one
Also Known As: 4-(4,5-dibromothien-3-yl)but-3-en-2-one, 4-(4,5-dibromothiophen-3-yl)but-3-en-2-one
| Molecular Formula | C8H6Br2OS |
|---|---|
| Molecular Weight | 307.85 g/mol |
| LogP | 3.8753 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 307.85062 |
| Heavy Atoms | 12 |
| Complexity | 327.7989 |
Chemical Identifiers
| CAS Number | 887575-84-0 |
|---|---|
| SMILES | CC(=O)C=CC1=CSC(=C1Br)Br |
Product Overview
4-(4,5-dibromothien-3-yl)but-3-en-2-one (CAS 887575-84-0), with molecular formula C8H6Br2OS and molecular weight 307.85 g/mol. IUPAC: 4-(4,5-dibromothiophen-3-yl)but-3-en-2-one.
Chemical Property Profile of 4-(4,5-dibromothien-3-yl)but-3-en-2-one
Property Insights of 4-(4,5-dibromothien-3-yl)but-3-en-2-one
The XLogP value of 3.8753 indicates that 4-(4,5-dibromothien-3-yl)but-3-en-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 4-(4,5-dibromothien-3-yl)but-3-en-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4,5-dibromothien-3-yl)but-3-en-2-one 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-(4,5-dibromothien-3-yl)but-3-en-2-one?
The CAS number of 4-(4,5-dibromothien-3-yl)but-3-en-2-one is 887575-84-0.
What is the molecular formula of 4-(4,5-dibromothien-3-yl)but-3-en-2-one?
The molecular formula of 4-(4,5-dibromothien-3-yl)but-3-en-2-one is C8H6Br2OS.
What is the molecular weight of 4-(4,5-dibromothien-3-yl)but-3-en-2-one?
The molecular weight of 4-(4,5-dibromothien-3-yl)but-3-en-2-one is 307.85 g/mol.
Where can I buy 4-(4,5-dibromothien-3-yl)but-3-en-2-one?
You can request a quote for 4-(4,5-dibromothien-3-yl)but-3-en-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4,5-dibromothien-3-yl)but-3-en-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(4,5-dibromothien-3-yl)but-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.