CAS RN: 864244-74-6
2-Amino-4-(4-amino-2-fluorophenoxy)pyridine
- Product code: SSC-195443
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 0.1g, 0.25g, 5g
- Available purity: ≥97%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
864244-74-6 / 4-(4-amino-2-fluorophenoxy)pyridin-2-amine
Basic Information
CAS
864244-74-6
Multi CAS
No
Molecular Formula
C11FH10N3O
Molecular Weight
219.210000
Exact Mass
219.080790
InChI
InChI=1S/C11H10FN3O/c12-9-5-7(13)1-2-10(9)16-8-3-4-15-11(14)6-8/h1-6H,13H2,(H2,14,15)
InChIKey
AWAOTKYAHSYQNA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
59.54
TPSA
74.16
LogP / Solubility
WLOGP
2.18
MLOGP
1.92
XLogP3
1.5
Consensus LogP
1.87
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.13
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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