CAS RN: 40545-63-9
4-(4-METHYL-PHENYL)-2H-PYRAZOL-3-YL AMINE
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.20250616 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS40545-63-9
- Purity/Analytical Methods: >99.0%
40545-63-9 / 4-(4-methylphenyl)-1H-pyrazol-5-amine
Basic Information
CAS
40545-63-9
Multi CAS
Yes
Molecular Formula
C10H11N3
Molecular Weight
173.210000
Exact Mass
173.095297
InChI
InChI=1S/C10H11N3/c1-7-2-4-8(5-3-7)9-6-12-13-10(9)11/h2-6H,1H3,(H3,11,12,13)
InChIKey
VNDBRCBZFIAMRE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
11
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
53.17
TPSA
54.7
LogP / Solubility
WLOGP
1.97
MLOGP
1.73
XLogP3
1.9
Consensus LogP
1.87
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.4
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.54
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)
-2.38
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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