Dibenzo(b,e)thiepin-11(6H)-one-5,5-dioxide
TL;DR: Dibenzo(b,e)thiepin-11(6H)-one-5,5-dioxide (CAS 33301-21-2) is a chemical compound with molecular formula C14H10O3S and molecular weight 258.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-dioxo-6H-benzo[c][1]benzothiepin-11-one
Also Known As: Dibenzo(b,e)thiepin-11(6H)-one-5,5-dioxide, 1-(4-Nitrophenyl)piperidin-2-one, 5,5-dioxo-6H-benzo[c][1]benzothiepin-11-one, dibenzo[b,e]thiepin-11(6H)-one 5,5-dioxide, Dibenzo[b,e]thiepin-11(6H)-one-5,5-dioxide
| Molecular Formula | C14H10O3S |
|---|---|
| Molecular Weight | 258.04 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 59.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 258.03506 |
| Heavy Atoms | 18 |
| Complexity | 434.0 |
Chemical Identifiers
| CAS Number | 33301-21-2 |
|---|---|
| SMILES | C1C2=CC=CC=C2C(=O)C3=CC=CC=C3S1(=O)=O |
| InChIKey | RXQLFFXTZURZDP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dibenzo(b,e)thiepin-11(6H)-one-5,5-dioxide (CAS 33301-21-2), with molecular formula C14H10O3S and molecular weight 258.04 g/mol. IUPAC: 5,5-dioxo-6H-benzo[c][1]benzothiepin-11-one.
Chemical Property Profile of Dibenzo(b,e)thiepin-11(6H)-one-5,5-dioxide
Property Insights of Dibenzo(b,e)thiepin-11(6H)-one-5,5-dioxide
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dibenzo(b,e)thiepin-11(6H)-one-5,5-dioxide. With a topological polar surface area (TPSA) of 59.6 Ų, Dibenzo(b,e)thiepin-11(6H)-one-5,5-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibenzo(b,e)thiepin-11(6H)-one-5,5-dioxide has 0 hydrogen bond donor(s) and 3 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-5,5-dioxide?
The CAS number of Dibenzo(b,e)thiepin-11(6H)-one-5,5-dioxide is 33301-21-2.
What is the molecular formula of Dibenzo(b,e)thiepin-11(6H)-one-5,5-dioxide?
The molecular formula of Dibenzo(b,e)thiepin-11(6H)-one-5,5-dioxide is C14H10O3S.
What is the molecular weight of Dibenzo(b,e)thiepin-11(6H)-one-5,5-dioxide?
The molecular weight of Dibenzo(b,e)thiepin-11(6H)-one-5,5-dioxide is 258.04 g/mol.
Where can I buy Dibenzo(b,e)thiepin-11(6H)-one-5,5-dioxide?
You can request a quote for Dibenzo(b,e)thiepin-11(6H)-one-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,e)thiepin-11(6H)-one-5,5-dioxide?
Yes, KEHONG BIO provides custom synthesis services for Dibenzo(b,e)thiepin-11(6H)-one-5,5-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.