CAS RN: 57806-32-3
3-Amino-4-(benzylamino)pyridine
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250609 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINA927286
57806-32-3 / 4-N-benzylpyridine-3,4-diamine
Basic Information
CAS
57806-32-3
Multi CAS
No
Molecular Formula
C12H13N3
Molecular Weight
199.250000
Exact Mass
199.110947
InChI
InChI=1S/C12H13N3/c13-11-9-14-7-6-12(11)15-8-10-4-2-1-3-5-10/h1-7,9H,8,13H2,(H,14,15)
InChIKey
OGXHMKKZMOZRQL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
62.42
TPSA
50.94
LogP / Solubility
WLOGP
2.28
MLOGP
2
XLogP3
1.6
Consensus LogP
1.96
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.84
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.2
Class (SILICOS-IT)
Poorly 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)
-2.32
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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