CAS RN: 1256792-34-3
3-Fluoro-5-Methoxypyridine-4-carbaldehyde
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.20251129 | 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1256792-34-3
- Purity/Analytical Methods: >99.0%
1256792-34-3 / 3-fluoro-5-methoxypyridine-4-carbaldehyde
Basic Information
CAS
1256792-34-3
Multi CAS
No
Molecular Formula
C7H6FNO2
Molecular Weight
155.130000
Exact Mass
155.038257
SMILES
COC1=CN=CC(=C1C=O)F
InChI
InChI=1S/C7H6FNO2/c1-11-7-3-9-2-6(8)5(7)4-10/h2-4H,1H3
InChIKey
UQXMVPSXSNPVKK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
36.13
TPSA
39.19
LogP / Solubility
WLOGP
1.04
MLOGP
0.91
XLogP3
0.4
Consensus LogP
0.78
Log S (ESOL)
-1.73
Class (ESOL)
Soluble
Log S (Ali)
-1.58
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.77
Class (SILICOS-IT)
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)
-2.93
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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