CAS RN: 1315363-79-1
2-Pyridinecarboxaldehyde, 5-cyclopropyl-3-fluoro-
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.20260414 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20251119 | 100mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20250108 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20250603 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20251020 | 5g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1315363-79-1
- Purity/Analytical Methods: >99.0%
1315363-79-1 / 5-cyclopropyl-3-fluoropyridine-2-carbaldehyde
Basic Information
CAS
1315363-79-1
Multi CAS
No
Molecular Formula
C9H8FNO
Molecular Weight
165.160000
Exact Mass
165.058992
SMILES
C1CC1C2=CC(=C(N=C2)C=O)F
InChI
InChI=1S/C9H8FNO/c10-8-3-7(6-1-2-6)4-11-9(8)5-12/h3-6H,1-2H2
InChIKey
ADNJOZWVOKQIGJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
41.56
TPSA
29.96
LogP / Solubility
WLOGP
1.91
MLOGP
1.68
XLogP3
1.7
Consensus LogP
1.76
Log S (ESOL)
-2.31
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.56
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)
-2.37
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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