![2-propan-2-yl-6H-benzo[c][1]benzoxepin-11-one structure](/static/products/7738/77389-46-9.webp)
2-propan-2-yl-6H-benzo[c][1]benzoxepin-11-one
TL;DR: 2-propan-2-yl-6H-benzo[c][1]benzoxepin-11-one (CAS 77389-46-9) is a chemical compound with molecular formula C17H16O2 and molecular weight 252.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-propan-2-yl-6H-benzo[c][1]benzoxepin-11-one
Also Known As: 2-isopropyldibenzo[b,e]oxepin-11(6H)-one, 2-propan-2-yl-6H-benzo[c][1]benzoxepin-11-one, Dibenz[b,e]oxepin-11(6H)-one, 2-(1-methylethyl)-, 5-(propan-2-yl)-9-oxatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-one, 5-isopropyl-9-oxatricyclo[9.4.0.0(3),?]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-one
| Molecular Formula | C17H16O2 |
|---|---|
| Molecular Weight | 252.12 g/mol |
| LogP | 3.9334 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 252.11504 |
| Heavy Atoms | 19 |
| Complexity | 641.4604 |
Chemical Identifiers
| CAS Number | 77389-46-9 |
|---|---|
| SMILES | CC(C)C1=CC2=C(C=C1)OCC3=CC=CC=C3C2=O |
Product Overview
2-propan-2-yl-6H-benzo[c][1]benzoxepin-11-one (CAS 77389-46-9), with molecular formula C17H16O2 and molecular weight 252.12 g/mol. IUPAC: 2-propan-2-yl-6H-benzo[c][1]benzoxepin-11-one.
Chemical Property Profile of 2-propan-2-yl-6H-benzo[c][1]benzoxepin-11-one
Property Insights of 2-propan-2-yl-6H-benzo[c][1]benzoxepin-11-one
The XLogP value of 3.9334 indicates that 2-propan-2-yl-6H-benzo[c][1]benzoxepin-11-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-propan-2-yl-6H-benzo[c][1]benzoxepin-11-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-propan-2-yl-6H-benzo[c][1]benzoxepin-11-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-propan-2-yl-6H-benzo[c][1]benzoxepin-11-one?
The CAS number of 2-propan-2-yl-6H-benzo[c][1]benzoxepin-11-one is 77389-46-9.
What is the molecular formula of 2-propan-2-yl-6H-benzo[c][1]benzoxepin-11-one?
The molecular formula of 2-propan-2-yl-6H-benzo[c][1]benzoxepin-11-one is C17H16O2.
What is the molecular weight of 2-propan-2-yl-6H-benzo[c][1]benzoxepin-11-one?
The molecular weight of 2-propan-2-yl-6H-benzo[c][1]benzoxepin-11-one is 252.12 g/mol.
Where can I buy 2-propan-2-yl-6H-benzo[c][1]benzoxepin-11-one?
You can request a quote for 2-propan-2-yl-6H-benzo[c][1]benzoxepin-11-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-propan-2-yl-6H-benzo[c][1]benzoxepin-11-one?
Yes, KEHONG BIO provides custom synthesis services for 2-propan-2-yl-6H-benzo[c][1]benzoxepin-11-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.