10-Bromo-4H-benzo(4,5)cyclohepta(1,2-b)thiophen-4-one
TL;DR: 10-Bromo-4H-benzo(4,5)cyclohepta(1,2-b)thiophen-4-one (CAS 34580-11-5) is a chemical compound with molecular formula C13H7BrOS and molecular weight 289.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-bromo-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,8,10,12-hexaen-2-one
Also Known As: 10-Bromo-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-one, BRD-K66839551-001-01-8, 10-Bromo-4H-benzo(4,5)cyclohepta(1,2-b)thiophen-4-one
| Molecular Formula | C13H7BrOS |
|---|---|
| Molecular Weight | 289.94 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 45.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 289.9401 |
| Heavy Atoms | 16 |
| Complexity | 339.0 |
Chemical Identifiers
| CAS Number | 34580-11-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(C3=C(C2=O)C=CS3)Br |
| InChIKey | JTYAUSWEFIWMHF-UHFFFAOYSA-N |
Product Overview
10-Bromo-4H-benzo(4,5)cyclohepta(1,2-b)thiophen-4-one (CAS 34580-11-5), with molecular formula C13H7BrOS and molecular weight 289.94 g/mol. IUPAC: 8-bromo-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,8,10,12-hexaen-2-one.
Chemical Property Profile of 10-Bromo-4H-benzo(4,5)cyclohepta(1,2-b)thiophen-4-one
Property Insights of 10-Bromo-4H-benzo(4,5)cyclohepta(1,2-b)thiophen-4-one
The XLogP value of 4.0 indicates that 10-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, 10-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, 10-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
Frequently Asked Questions
What is the CAS number of 10-Bromo-4H-benzo(4,5)cyclohepta(1,2-b)thiophen-4-one?
The CAS number of 10-Bromo-4H-benzo(4,5)cyclohepta(1,2-b)thiophen-4-one is 34580-11-5.
What is the molecular formula of 10-Bromo-4H-benzo(4,5)cyclohepta(1,2-b)thiophen-4-one?
The molecular formula of 10-Bromo-4H-benzo(4,5)cyclohepta(1,2-b)thiophen-4-one is C13H7BrOS.
What is the molecular weight of 10-Bromo-4H-benzo(4,5)cyclohepta(1,2-b)thiophen-4-one?
The molecular weight of 10-Bromo-4H-benzo(4,5)cyclohepta(1,2-b)thiophen-4-one is 289.94 g/mol.
Where can I buy 10-Bromo-4H-benzo(4,5)cyclohepta(1,2-b)thiophen-4-one?
You can request a quote for 10-Bromo-4H-benzo(4,5)cyclohepta(1,2-b)thiophen-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10-Bromo-4H-benzo(4,5)cyclohepta(1,2-b)thiophen-4-one?
Yes, KEHONG BIO provides custom synthesis services for 10-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.