CAS RN: 5345-46-0
5-ACENAPHTHENECARBOXALDEHYDE 95
Product Availability
Choose a grade to view its available package options.
7 package records5 with current stock4 grade groups
- Product code: SSC-160788
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: ＞95%
- 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 | ＞95% | 0 Out of Stock | Shanghai | Inquiry |
5345-46-0 / 1,2-dihydroacenaphthylene-5-carbaldehyde
Basic Information
CAS
5345-46-0
Multi CAS
Yes
Molecular Formula
C13H10O
Molecular Weight
182.220000
Exact Mass
182.073165
InChI
InChI=1S/C13H10O/c14-8-11-7-6-10-5-4-9-2-1-3-12(11)13(9)10/h1-3,6-8H,4-5H2
InChIKey
VNEOTRCBGZQYJT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.15
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
56.74
TPSA
17.07
LogP / Solubility
WLOGP
2.75
MLOGP
2.42
XLogP3
3.5
Consensus LogP
2.89
Log S (ESOL)
-3.17
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.04
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.25
Class (SILICOS-IT)
Poorly 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)
-1.88
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
