4-Bromo-2-methylthiophene
TL;DR: 4-Bromo-2-methylthiophene (CAS 29421-92-9) is a chemical compound with molecular formula C5H5BrS and molecular weight 175.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-2-methylthiophene
Also Known As: 4-bromo-2-methylthiophene, thiophene, 4-bromo-2-methyl-, 2-methyl-4-bromothiophene, 4-bromo-2-methyl thiophene, 4-bromo-2-methyl-thiophene
| Molecular Formula | C5H5BrS |
|---|---|
| Molecular Weight | 175.93 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 28.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 175.92953 |
| Heavy Atoms | 7 |
| Complexity | 65.0 |
Chemical Identifiers
| CAS Number | 29421-92-9 |
|---|---|
| SMILES | CC1=CC(=CS1)Br |
| InChIKey | ABMUSXPGSSMPLK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Bromo-2-methylthiophene (CAS 29421-92-9), with molecular formula C5H5BrS and molecular weight 175.93 g/mol. IUPAC: 4-bromo-2-methylthiophene.
Chemical Property Profile of 4-Bromo-2-methylthiophene
Property Insights of 4-Bromo-2-methylthiophene
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-2-methylthiophene. With a topological polar surface area (TPSA) of 28.2 Ų, 4-Bromo-2-methylthiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-2-methylthiophene has 0 hydrogen bond donor(s) and 1 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-2-methylthiophene?
The CAS number of 4-Bromo-2-methylthiophene is 29421-92-9.
What is the molecular formula of 4-Bromo-2-methylthiophene?
The molecular formula of 4-Bromo-2-methylthiophene is C5H5BrS.
What is the molecular weight of 4-Bromo-2-methylthiophene?
The molecular weight of 4-Bromo-2-methylthiophene is 175.93 g/mol.
Where can I buy 4-Bromo-2-methylthiophene?
You can request a quote for 4-Bromo-2-methylthiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-2-methylthiophene?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-2-methylthiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.