4-Bromo-3-tert-butoxythiophene
TL;DR: 4-Bromo-3-tert-butoxythiophene (CAS 5556-14-9) is a chemical compound with molecular formula C8H11BrOS and molecular weight 233.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-4-[(2-methylpropan-2-yl)oxy]thiophene
Also Known As: 4-Bromo-3-tert-butoxythiophene, Thiophene, 3-bromo-4-tert-butoxy-, 3-Bromo-4-tert-butoxythiophene, 3-bromo-4-(tert-butoxy)thiophene, 3-Bromo-4-(1,1-dimethylethoxy)thiophene
| Molecular Formula | C8H11BrOS |
|---|---|
| Molecular Weight | 233.97 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 37.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 233.9714 |
| Heavy Atoms | 11 |
| Complexity | 133.0 |
Chemical Identifiers
| CAS Number | 5556-14-9 |
|---|---|
| SMILES | CC(C)(C)OC1=CSC=C1Br |
| InChIKey | BYBMJUYCQXZMTF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Bromo-3-tert-butoxythiophene (CAS 5556-14-9), with molecular formula C8H11BrOS and molecular weight 233.97 g/mol. IUPAC: 3-bromo-4-[(2-methylpropan-2-yl)oxy]thiophene.
Chemical Property Profile of 4-Bromo-3-tert-butoxythiophene
Property Insights of 4-Bromo-3-tert-butoxythiophene
The XLogP value of 3.2 indicates that 4-Bromo-3-tert-butoxythiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.5 Ų, 4-Bromo-3-tert-butoxythiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-3-tert-butoxythiophene 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-Bromo-3-tert-butoxythiophene?
The CAS number of 4-Bromo-3-tert-butoxythiophene is 5556-14-9.
What is the molecular formula of 4-Bromo-3-tert-butoxythiophene?
The molecular formula of 4-Bromo-3-tert-butoxythiophene is C8H11BrOS.
What is the molecular weight of 4-Bromo-3-tert-butoxythiophene?
The molecular weight of 4-Bromo-3-tert-butoxythiophene is 233.97 g/mol.
Where can I buy 4-Bromo-3-tert-butoxythiophene?
You can request a quote for 4-Bromo-3-tert-butoxythiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-3-tert-butoxythiophene?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-3-tert-butoxythiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.