![Dibenz[b,e]oxepin-11(6H)-one structure](/static/products/4504/4504-87-4.webp)
Dibenz[b,e]oxepin-11(6H)-one
TL;DR: Dibenz[b,e]oxepin-11(6H)-one (CAS 4504-87-4) is a chemical compound with molecular formula C14H10O2 and molecular weight 210.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6H-benzo[c][1]benzoxepin-11-one
Also Known As: Doxepinone, Dibenzo[b,E]oxepin-11(6H)-one, Dibenz[b,e]oxepin-11(6H)-one, Doxepin Related Compound A, Doxepin Impurity 7
| Molecular Formula | C14H10O2 |
|---|---|
| Molecular Weight | 210.07 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 210.06808 |
| Heavy Atoms | 16 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 4504-87-4 |
|---|---|
| SMILES | C1C2=CC=CC=C2C(=O)C3=CC=CC=C3O1 |
| InChIKey | YUSHFLBKQQILNV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dibenz[b,e]oxepin-11(6H)-one (CAS 4504-87-4), with molecular formula C14H10O2 and molecular weight 210.07 g/mol. IUPAC: 6H-benzo[c][1]benzoxepin-11-one.
Chemical Property Profile of Dibenz[b,e]oxepin-11(6H)-one
Property Insights of Dibenz[b,e]oxepin-11(6H)-one
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dibenz[b,e]oxepin-11(6H)-one. With a topological polar surface area (TPSA) of 26.3 Ų, Dibenz[b,e]oxepin-11(6H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibenz[b,e]oxepin-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 Dibenz[b,e]oxepin-11(6H)-one?
The CAS number of Dibenz[b,e]oxepin-11(6H)-one is 4504-87-4.
What is the molecular formula of Dibenz[b,e]oxepin-11(6H)-one?
The molecular formula of Dibenz[b,e]oxepin-11(6H)-one is C14H10O2.
What is the molecular weight of Dibenz[b,e]oxepin-11(6H)-one?
The molecular weight of Dibenz[b,e]oxepin-11(6H)-one is 210.07 g/mol.
Where can I buy Dibenz[b,e]oxepin-11(6H)-one?
You can request a quote for Dibenz[b,e]oxepin-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 Dibenz[b,e]oxepin-11(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for Dibenz[b,e]oxepin-11(6H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.