CAS RN: 380600-91-9
9,9-Di-n-octylfluorene-2,7-dicarboxaldehyde
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250813 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-145555
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: ≥98%
- 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 | ≥98% | 0 Out of Stock | Shanghai | Inquiry |
380600-91-9 / 9,9-dioctylfluorene-2,7-dicarbaldehyde
Basic Information
CAS
380600-91-9
Multi CAS
No
Molecular Formula
C31H42O2
Molecular Weight
446.700000
Exact Mass
446.318481
InChI
InChI=1S/C31H42O2/c1-3-5-7-9-11-13-19-31(20-14-12-10-8-6-4-2)29-21-25(23-32)15-17-27(29)28-18-16-26(24-33)22-30(28)31/h15-18,21-24H,3-14,19-20H2,1-2H3
InChIKey
ZVQJNVBHJBLVSX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
12
Fraction Csp3
0.55
Rotatable bonds
16
H-bond acceptors
2
Molar refractivity
139.42
TPSA
34.14
LogP / Solubility
WLOGP
9.08
MLOGP
8.02
XLogP3
10.9
Consensus LogP
9.33
Log S (ESOL)
-7.54
Class (ESOL)
Insoluble
Log S (Ali)
-9.78
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.02
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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