CAS RN: 112641-28-8
8-FLUORO-NAPHTHALENE-1-CARBALDEHYDE
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260606 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260603 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20250422 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20251102 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20260626 | 50mg / 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS112641-28-8
- Purity/Analytical Methods: >99.0%
112641-28-8 / 8-fluoronaphthalene-1-carbaldehyde
8-fluoro-1-naphthaldehyde | 8-Fluoronaphthalene-1-carbaldehyde | 1-Naphthalenecarboxaldehyde, 8-fluoro-
Basic Information
CAS
112641-28-8
Multi CAS
No
Molecular Formula
C11H7FO
Molecular Weight
174.170000
Exact Mass
174.048093
SMILES
C1=CC2=C(C(=C1)C=O)C(=CC=C2)F
InChI
InChI=1S/C11H7FO/c12-10-6-2-4-8-3-1-5-9(7-13)11(8)10/h1-7H
InChIKey
WIFMIURQPURGNR-UHFFFAOYSA-N
Synonyms
8-fluoro-1-naphthaldehyde
8-Fluoronaphthalene-1-carbaldehyde
1-Naphthalenecarboxaldehyde, 8-fluoro-
8-Fluoro-naphthalene-1-carbaldehyde
MFCD18412314
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
49.29
TPSA
17.07
LogP / Solubility
WLOGP
2.79
MLOGP
2.45
XLogP3
2.7
Consensus LogP
2.65
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.23
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)
-1.8
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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