CAS RN: 2235-15-6
1-Acenaphthenone
Product Availability
Choose a grade to view its available package options.
11 package records9 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251129 | 100g | In stock | Shanghai | Inquiry |
| Batchno.20251103 | 10g | In stock | Shanghai, Chengdu | Inquiry |
| Batchno.20260427 | 1g | In stock | Shanghai, Shenzhen, Wuhan, Chengdu | Inquiry |
| Batchno.20250228 | 1g / 5g / 25g / 100g | Confirm by inquiry | Shanghai | Inquiry |
| Batchno.20250823 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20260617 | 25g | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20250708 | 5g | In stock | Shanghai | Inquiry |
- Product code: SSC-108982
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | >97% | 0 Out of Stock | Shanghai | Inquiry |
2235-15-6 / 2H-acenaphthylen-1-one
Basic Information
CAS
2235-15-6
Multi CAS
No
Molecular Formula
C12H8O
Molecular Weight
168.190000
Exact Mass
168.057515
SMILES
C1C2=CC=CC3=C2C(=CC=C3)C1=O
InChI
InChI=1S/C12H8O/c13-11-7-9-5-1-3-8-4-2-6-10(11)12(8)9/h1-6H,7H2
InChIKey
JBXIOAKUBCTDES-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.08
H-bond acceptors
1
Molar refractivity
51.98
TPSA
17.07
LogP / Solubility
WLOGP
2.58
MLOGP
2.27
XLogP3
2.6
Consensus LogP
2.48
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.8
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
