CAS RN: 255375-90-7
5-FLUOROISOPHTHALALDEHYDE
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.20250714 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS255375-90-7
- Purity/Analytical Methods: >99.0%
255375-90-7 / 5-fluorobenzene-1,3-dicarbaldehyde
Basic Information
CAS
255375-90-7
Multi CAS
No
Molecular Formula
C8H5FO2
Molecular Weight
152.120000
Exact Mass
152.027358
SMILES
C1=C(C=C(C=C1C=O)F)C=O
InChI
InChI=1S/C8H5FO2/c9-8-2-6(4-10)1-7(3-8)5-11/h1-5H
InChIKey
QCQALMWFLWVAHO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
37.18
TPSA
34.14
LogP / Solubility
WLOGP
1.45
MLOGP
1.27
XLogP3
0.9
Consensus LogP
1.21
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-1.85
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.09
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.62
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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