CAS RN: 90012-40-1
2-PHENYL-5-P-TOLYL-2H-PYRAZOL-3-YLAMINE
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.20250323 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS90012-40-1
- Purity/Analytical Methods: >99.0%
90012-40-1 / 3-(4-methylphenyl)-1-phenylpyrazol-5-amine
Basic Information
CAS
90012-40-1
Multi CAS
No
Molecular Formula
C16H15N3
Molecular Weight
249.310000
Exact Mass
249.126597
InChI
InChI=1S/C16H15N3/c1-12-7-9-13(10-8-12)15-11-16(17)19(18-15)14-5-3-2-4-6-14/h2-11H,17H2,1H3
InChIKey
WMJZITXAXMNGCH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
17
Fraction Csp3
0.06
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
78.15
TPSA
43.84
LogP / Solubility
WLOGP
3.43
MLOGP
3.02
XLogP3
3.6
Consensus LogP
3.35
Log S (ESOL)
-4.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.37
Class (SILICOS-IT)
Slightly 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)
-1.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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- Product Code: starshine_CAS90013-45-9
- Purity/Analytical method: >99.0%
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