![CAS 262-89-5 Dibenzo[a,e]cyclooctene molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/d4338-jpgcontextbwfzdgvyfhjvb3r8mzi5mtv8aw1hz2uvanblz3xonmevagfklzg5mzayoduzmjiynzavrdqzmzguanbnfgmym2mxmmnjztczodzhnzezymzkmzdintnmyzrlmzi3zjm1ywm0otzlyzu0otu2zjlioddimtg4ztk4yjdlzgm.jpeg)
CAS RN: 262-89-5
Dibenzo[a,e]cyclooctene
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260125 | 200mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-123363
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥97% | 0 Out of Stock | Hong Kong | Inquiry |
262-89-5 / tricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,10,12,14-octaene
Basic Information
CAS
262-89-5
Multi CAS
No
Molecular Formula
C16H12
Molecular Weight
204.270000
Exact Mass
204.093900
SMILES
C1=CC=C2C=CC3=CC=CC=C3C=CC2=C1
InChI
InChI=1S/C16H12/c1-2-6-14-11-12-16-8-4-3-7-15(16)10-9-13(14)5-1/h1-12H
InChIKey
VGQWCQNHAMVTJY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Molar refractivity
70.74
TPSA
0.0000
LogP / Solubility
WLOGP
4.34
MLOGP
3.82
XLogP3
4.8
Consensus LogP
4.32
Log S (ESOL)
-4.4
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.59
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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