![Dibenzo[b,e]thiepin-11(6H)-one structure](/static/products/1531/1531-77-7.webp)
Dibenzo[b,e]thiepin-11(6H)-one
TL;DR: Dibenzo[b,e]thiepin-11(6H)-one (CAS 1531-77-7) is a chemical compound with molecular formula C14H10OS and molecular weight 226.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6H-benzo[c][1]benzothiepin-11-one
Also Known As: Dibenzo[b,e]thiepin-11(6H)-one, 6,11-Dihydrodibenzo[b,e]thiepin-11-one, Homothioxanthone, dothiepinone, Not Available
| Molecular Formula | C14H10OS |
|---|---|
| Molecular Weight | 226.05 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 226.04524 |
| Heavy Atoms | 16 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 1531-77-7 |
|---|---|
| SMILES | C1C2=CC=CC=C2C(=O)C3=CC=CC=C3S1 |
| InChIKey | JGJDEWXZEIHBNW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dibenzo[b,e]thiepin-11(6H)-one (CAS 1531-77-7), with molecular formula C14H10OS and molecular weight 226.05 g/mol. IUPAC: 6H-benzo[c][1]benzothiepin-11-one.
Chemical Property Profile of Dibenzo[b,e]thiepin-11(6H)-one
Property Insights of Dibenzo[b,e]thiepin-11(6H)-one
The XLogP value of 3.5 indicates that Dibenzo[b,e]thiepin-11(6H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.4 Ų, Dibenzo[b,e]thiepin-11(6H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibenzo[b,e]thiepin-11(6H)-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 Dibenzo[b,e]thiepin-11(6H)-one?
The CAS number of Dibenzo[b,e]thiepin-11(6H)-one is 1531-77-7.
What is the molecular formula of Dibenzo[b,e]thiepin-11(6H)-one?
The molecular formula of Dibenzo[b,e]thiepin-11(6H)-one is C14H10OS.
What is the molecular weight of Dibenzo[b,e]thiepin-11(6H)-one?
The molecular weight of Dibenzo[b,e]thiepin-11(6H)-one is 226.05 g/mol.
Where can I buy Dibenzo[b,e]thiepin-11(6H)-one?
You can request a quote for Dibenzo[b,e]thiepin-11(6H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibenzo[b,e]thiepin-11(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for Dibenzo[b,e]thiepin-11(6H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.