CAS RN: 757174-04-2
2-Pyridinecarboximidamide,3-fluoro-(9CI)
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.20250314 | 50mg / 250mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS757174-04-2
- Purity/Analytical Methods: >99.0%
757174-04-2 / 3-fluoropyridine-2-carboximidamide
Basic Information
CAS
757174-04-2
Multi CAS
No
Molecular Formula
C6FH6N3
Molecular Weight
139.130000
Exact Mass
139.054575
InChI
InChI=1S/C6H6FN3/c7-4-2-1-3-10-5(4)6(8)9/h1-3H,(H3,8,9)
InChIKey
NKXKHBOEMZSALY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
35.21
TPSA
62.76
LogP / Solubility
WLOGP
0.5
MLOGP
0.44
XLogP3
0.3
Consensus LogP
0.41
Log S (ESOL)
-1.4
Class (ESOL)
Soluble
Log S (Ali)
-1.07
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.1
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)
-3.21
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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