![9,10-Dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-one structure](/static/products/1622/1622-55-5.webp)
9,10-Dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-one
TL;DR: 9,10-Dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-one (CAS 1622-55-5) is a chemical compound with molecular formula C13H10OS and molecular weight 214.05 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),4,10,12-pentaen-2-one
Also Known As: Pizotifen Impurity 1, 9,10-Dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-one, 9,10-Dihydro-4H-benzo(4,5)cyclohepta(1,2-b)thiophen-4-one, 6-(4-Formylphenyl)nicotinonitrile, 9,10-dihydro-1-thiabenzo[f]azulen-4-one
| Molecular Formula | C13H10OS |
|---|---|
| Molecular Weight | 214.05 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 45.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 214.04524 |
| Heavy Atoms | 15 |
| Complexity | 263.0 |
Chemical Identifiers
| CAS Number | 1622-55-5 |
|---|---|
| SMILES | C1CC2=C(C=CS2)C(=O)C3=CC=CC=C31 |
| InChIKey | JAGBUENUSNSSFW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
9,10-Dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-one (CAS 1622-55-5), with molecular formula C13H10OS and molecular weight 214.05 g/mol. IUPAC: 6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-one.
Chemical Property Profile of 9,10-Dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-one
Property Insights of 9,10-Dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-one
The XLogP value of 3.4 indicates that 9,10-Dihydro-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, 9,10-Dihydro-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, 9,10-Dihydro-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 9,10-Dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-one?
The CAS number of 9,10-Dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-one is 1622-55-5.
What is the molecular formula of 9,10-Dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-one?
The molecular formula of 9,10-Dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-one is C13H10OS.
What is the molecular weight of 9,10-Dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-one?
The molecular weight of 9,10-Dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-one is 214.05 g/mol.
Where can I buy 9,10-Dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-one?
You can request a quote for 9,10-Dihydro-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 9,10-Dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-one?
Yes, KEHONG BIO provides custom synthesis services for 9,10-Dihydro-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.