![2-bromo-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-one structure](/static/products/1269/126939-25-1.webp)
2-bromo-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-one
TL;DR: 2-bromo-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-one (CAS 126939-25-1) is a chemical compound with molecular formula C13H7BrOS and molecular weight 289.9401 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-bromo-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,8,10,12-hexaen-2-one
Also Known As: Ketotifen Impurity 24, Ketotifen Impurity 25, 2-bromo-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-one, J1.184.497I, AE-641/00359013
Technical Specifications
| Molecular Formula | C13H7BrOS |
| Molecular Weight | 289.9401 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 45.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 289.9401 Da |
| Heavy Atoms | 16 |
| Complexity | 328.0 |
| SMILES | C1=CC=C2C(=C1)C=CC3=C(C2=O)C=C(S3)Br |
| InChIKey | GEMIJYIZSIKGMP-UHFFFAOYSA-N |
Chemical Property Profile of 2-bromo-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-one
Property Insights of 2-bromo-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-one
The XLogP value of 4.6 indicates that 2-bromo-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.3 Ų, 2-bromo-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-bromo-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-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
What is the CAS number of 2-bromo-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-one?
The CAS number of 2-bromo-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-one is 126939-25-1.
What is the molecular formula of 2-bromo-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-one?
The molecular formula of 2-bromo-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-one is C13H7BrOS.
What is the molecular weight of 2-bromo-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-one?
The molecular weight of 2-bromo-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-one is 289.9401 g/mol.
Where can I buy 2-bromo-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-one?
You can request a quote for 2-bromo-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-bromo-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-one?
Yes, CoreyChem provides custom synthesis services for 2-bromo-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.