![4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-one structure](/static/products/4506/4506-53-0.webp)
4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-one
TL;DR: 4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-one (CAS 4506-53-0) is a chemical compound with molecular formula C13H8OS and molecular weight 212.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,8,10,12-hexaen-2-one
Also Known As: Ketotifen Impurity 22, 4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-one, Benzo[1,2]cyclohepta[3,4-b]thiophen-10-one, AE-641/30102054, 6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,8,10,12-hexaen-2-one
| Molecular Formula | C13H8OS |
|---|---|
| Molecular Weight | 212.03 g/mol |
| LogP | 3.4147 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 212.02959 |
| Heavy Atoms | 15 |
| Complexity | 697.28986 |
Chemical Identifiers
| CAS Number | 4506-53-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC3=C(C2=O)C=CS3 |
Product Overview
4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-one (CAS 4506-53-0), with molecular formula C13H8OS and molecular weight 212.03 g/mol. IUPAC: 6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,8,10,12-hexaen-2-one.
Chemical Property Profile of 4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-one
Property Insights of 4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-one
The XLogP value of 3.4147 indicates that 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 17.07 Ų, 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, 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 4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-one?
The CAS number of 4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-one is 4506-53-0.
What is the molecular formula of 4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-one?
The molecular formula of 4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-one is C13H8OS.
What is the molecular weight of 4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-one?
The molecular weight of 4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-one is 212.03 g/mol.
Where can I buy 4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-one?
You can request a quote for 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 4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-one?
Yes, KEHONG BIO provides custom synthesis services for 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.