![2-Methyldibenz[b,e]oxepin-11(6H)-one structure](/static/products/2356/23560-66-9.webp)
2-Methyldibenz[b,e]oxepin-11(6H)-one
TL;DR: 2-Methyldibenz[b,e]oxepin-11(6H)-one (CAS 23560-66-9) is a chemical compound with molecular formula C15H12O2 and molecular weight 224.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-6H-benzo[c][1]benzoxepin-11-one
Also Known As: Olopatadine Impurity 25, Olopatadine Impurity 46, 2-methyldibenzo[b,e]oxepin-11(6H)-one, 2-methyl-6H-benzo[c][1]benzoxepin-11-one, 2-methyldibenzo[b,e]oxepin-11-one
| Molecular Formula | C15H12O2 |
|---|---|
| Molecular Weight | 224.08 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 224.08372 |
| Heavy Atoms | 17 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 23560-66-9 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)OCC3=CC=CC=C3C2=O |
| InChIKey | QKBZVICFFSSIDH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methyldibenz[b,e]oxepin-11(6H)-one (CAS 23560-66-9), with molecular formula C15H12O2 and molecular weight 224.08 g/mol. IUPAC: 2-methyl-6H-benzo[c][1]benzoxepin-11-one.
Chemical Property Profile of 2-Methyldibenz[b,e]oxepin-11(6H)-one
Property Insights of 2-Methyldibenz[b,e]oxepin-11(6H)-one
The XLogP value of 3.3 indicates that 2-Methyldibenz[b,e]oxepin-11(6H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Methyldibenz[b,e]oxepin-11(6H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyldibenz[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 2-Methyldibenz[b,e]oxepin-11(6H)-one?
The CAS number of 2-Methyldibenz[b,e]oxepin-11(6H)-one is 23560-66-9.
What is the molecular formula of 2-Methyldibenz[b,e]oxepin-11(6H)-one?
The molecular formula of 2-Methyldibenz[b,e]oxepin-11(6H)-one is C15H12O2.
What is the molecular weight of 2-Methyldibenz[b,e]oxepin-11(6H)-one?
The molecular weight of 2-Methyldibenz[b,e]oxepin-11(6H)-one is 224.08 g/mol.
Where can I buy 2-Methyldibenz[b,e]oxepin-11(6H)-one?
You can request a quote for 2-Methyldibenz[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 2-Methyldibenz[b,e]oxepin-11(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyldibenz[b,e]oxepin-11(6H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.