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, 0.25g, 0.1g
- Available purity: ≥95%
- Inventory rows with stock: 3
- 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.
1211524-38-7 / 3-phenylpyridin-4-amine
3-Phenylpyridin-4-amine | 4-amino-3-phenylpyridine | 4-Amino-3-phenyl pyridine
Basic Information
CAS
1211524-38-7
Multi CAS
No
Molecular Formula
C11H10N2
Molecular Weight
170.210000
Exact Mass
170.084398
SMILES
C1=CC=C(C=C1)C2=C(C=CN=C2)N
InChI
InChI=1S/C11H10N2/c12-11-6-7-13-8-10(11)9-4-2-1-3-5-9/h1-8H,(H2,12,13)
InChIKey
GRTBROPARUQBTJ-UHFFFAOYSA-N
Synonyms
3-Phenylpyridin-4-amine
4-amino-3-phenylpyridine
4-Amino-3-phenyl pyridine
MFCD09952114
SCHEMBL3758939
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
54.09
TPSA
38.91
LogP / Solubility
WLOGP
2.33
MLOGP
2.05
XLogP3
1.8
Consensus LogP
2.06
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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