CAS RN: 80420-88-8
4-(pyridin-4-yl)benzene-1,2-diamine
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.20250711 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS80420-88-8
- Purity/Analytical Methods: >99.0%
80420-88-8 / 4-pyridin-4-ylbenzene-1,2-diamine
Basic Information
CAS
80420-88-8
Multi CAS
No
Molecular Formula
C11H11N3
Molecular Weight
185.220000
Exact Mass
185.095297
InChI
InChI=1S/C11H11N3/c12-10-2-1-9(7-11(10)13)8-3-5-14-6-4-8/h1-7H,12-13H2
InChIKey
BOZAGTUANUIVTL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
58.5
TPSA
64.93
LogP / Solubility
WLOGP
1.91
MLOGP
1.68
XLogP3
0.8
Consensus LogP
1.46
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.46
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.57
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)
-2.49
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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