11H-Dibenzo(b,e)(1,4)dioxepin-11-one
TL;DR: 11H-Dibenzo(b,e)(1,4)dioxepin-11-one (CAS 3580-77-6) is a chemical compound with molecular formula C13H8O3 and molecular weight 212.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzo[b][1,4]benzodioxepin-6-one
Also Known As: Depsidone, 11H-Dibenzo[b,e][1,4]dioxepin-11-one, benzo[b][1,4]benzodioxepin-6-one, benzo(b)(1,4)benzodioxepin-6-one, Benzo[b][1,5]benzodioxepin-6-one
| Molecular Formula | C13H8O3 |
|---|---|
| Molecular Weight | 212.05 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 212.04735 |
| Heavy Atoms | 16 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 3580-77-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)OC3=CC=CC=C3O2 |
| InChIKey | YCJBWNIROIXYPD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
11H-Dibenzo(b,e)(1,4)dioxepin-11-one (CAS 3580-77-6), with molecular formula C13H8O3 and molecular weight 212.05 g/mol. IUPAC: benzo[b][1,4]benzodioxepin-6-one.
Chemical Property Profile of 11H-Dibenzo(b,e)(1,4)dioxepin-11-one
Property Insights of 11H-Dibenzo(b,e)(1,4)dioxepin-11-one
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 11H-Dibenzo(b,e)(1,4)dioxepin-11-one. With a topological polar surface area (TPSA) of 35.5 Ų, 11H-Dibenzo(b,e)(1,4)dioxepin-11-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 11H-Dibenzo(b,e)(1,4)dioxepin-11-one 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 11H-Dibenzo(b,e)(1,4)dioxepin-11-one?
The CAS number of 11H-Dibenzo(b,e)(1,4)dioxepin-11-one is 3580-77-6.
What is the molecular formula of 11H-Dibenzo(b,e)(1,4)dioxepin-11-one?
The molecular formula of 11H-Dibenzo(b,e)(1,4)dioxepin-11-one is C13H8O3.
What is the molecular weight of 11H-Dibenzo(b,e)(1,4)dioxepin-11-one?
The molecular weight of 11H-Dibenzo(b,e)(1,4)dioxepin-11-one is 212.05 g/mol.
Where can I buy 11H-Dibenzo(b,e)(1,4)dioxepin-11-one?
You can request a quote for 11H-Dibenzo(b,e)(1,4)dioxepin-11-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11H-Dibenzo(b,e)(1,4)dioxepin-11-one?
Yes, KEHONG BIO provides custom synthesis services for 11H-Dibenzo(b,e)(1,4)dioxepin-11-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.