CAS RN: 1260897-38-8
6-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.20250627 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1260897-38-8
- Purity/Analytical Methods: >99.0%
1260897-38-8 / 6-phenyl-1H-indazole
Basic Information
CAS
1260897-38-8
Multi CAS
No
Molecular Formula
C13H10N2
Molecular Weight
194.230000
Exact Mass
194.084398
SMILES
C1=CC=C(C=C1)C2=CC3=C(C=C2)C=NN3
InChI
InChI=1S/C13H10N2/c1-2-4-10(5-3-1)11-6-7-12-9-14-15-13(12)8-11/h1-9H,(H,14,15)
InChIKey
OPJICVPEFWXDDJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
61.53
TPSA
28.68
LogP / Solubility
WLOGP
3.23
MLOGP
2.84
XLogP3
3.4
Consensus LogP
3.16
Log S (ESOL)
-3.75
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.48
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.72
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)
-1.61
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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