CAS RN: 60186-26-7
2,3-Pyridinediamine,6-fluoro-(9CI)
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260502 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS60186-26-7
- Purity/Analytical Methods: >99.0%
60186-26-7 / 6-fluoropyridine-2,3-diamine
Basic Information
CAS
60186-26-7
Multi CAS
No
Molecular Formula
C5FH6N3
Molecular Weight
127.120000
Exact Mass
127.054575
InChI
InChI=1S/C5H6FN3/c6-4-2-1-3(7)5(8)9-4/h1-2H,7H2,(H2,8,9)
InChIKey
OCAHJYPQETZMIC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
33.02
TPSA
64.93
LogP / Solubility
WLOGP
0.39
MLOGP
0.33
XLogP3
0.3
Consensus LogP
0.34
Log S (ESOL)
-1.36
Class (ESOL)
Soluble
Log S (Ali)
-0.88
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.81
Class (SILICOS-IT)
Very 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)
-3.22
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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