CAS RN: 57614-16-1
5-Methyl-3-Phenyl-1H-Indazole
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.20250311 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS57614-16-1
- Purity/Analytical Methods: >99.0%
57614-16-1 / 5-methyl-3-phenyl-1H-indazole
Basic Information
CAS
57614-16-1
Multi CAS
Yes
Molecular Formula
C14H12N2
Molecular Weight
208.260000
Exact Mass
208.100048
InChI
InChI=1S/C14H12N2/c1-10-7-8-13-12(9-10)14(16-15-13)11-5-3-2-4-6-11/h2-9H,1H3,(H,15,16)
InChIKey
BKFJFOATAKURAK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
66.27
TPSA
28.68
LogP / Solubility
WLOGP
3.54
MLOGP
3.11
XLogP3
3.6
Consensus LogP
3.42
Log S (ESOL)
-3.99
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.82
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.07
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)
-1.48
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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