![Dibenzo[b,f]thiepine 5,5-dioxide structure](/static/products/1692/16926-58-2.webp)
Dibenzo[b,f]thiepine 5,5-dioxide
TL;DR: Dibenzo[b,f]thiepine 5,5-dioxide (CAS 16926-58-2) is a chemical compound with molecular formula C14H10O2S and molecular weight 242.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzo[b][1]benzothiepine 11,11-dioxide
Also Known As: dibenzo[b,f]thiepine 5,5-dioxide, benzo[b][1]benzothiepine 11,11-dioxide, 5H-5lambda~6~-Dibenzo[b,f]thiepine-5,5-dione, 2-Propen-1-one,3-[4-(methylthio)phenyl]-1-(2-naphthalenyl)
| Molecular Formula | C14H10O2S |
|---|---|
| Molecular Weight | 242.04 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 242.04015 |
| Heavy Atoms | 17 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 16926-58-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC3=CC=CC=C3S2(=O)=O |
| InChIKey | VSYDFZCPPSQOFJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dibenzo[b,f]thiepine 5,5-dioxide (CAS 16926-58-2), with molecular formula C14H10O2S and molecular weight 242.04 g/mol. IUPAC: benzo[b][1]benzothiepine 11,11-dioxide.
Chemical Property Profile of Dibenzo[b,f]thiepine 5,5-dioxide
Property Insights of Dibenzo[b,f]thiepine 5,5-dioxide
The XLogP value of 3.2 indicates that Dibenzo[b,f]thiepine 5,5-dioxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.5 Ų, Dibenzo[b,f]thiepine 5,5-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibenzo[b,f]thiepine 5,5-dioxide 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,f]thiepine 5,5-dioxide?
The CAS number of Dibenzo[b,f]thiepine 5,5-dioxide is 16926-58-2.
What is the molecular formula of Dibenzo[b,f]thiepine 5,5-dioxide?
The molecular formula of Dibenzo[b,f]thiepine 5,5-dioxide is C14H10O2S.
What is the molecular weight of Dibenzo[b,f]thiepine 5,5-dioxide?
The molecular weight of Dibenzo[b,f]thiepine 5,5-dioxide is 242.04 g/mol.
Where can I buy Dibenzo[b,f]thiepine 5,5-dioxide?
You can request a quote for Dibenzo[b,f]thiepine 5,5-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibenzo[b,f]thiepine 5,5-dioxide?
Yes, KEHONG BIO provides custom synthesis services for Dibenzo[b,f]thiepine 5,5-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.