CAS RN: 451496-96-1
piperidin-1-yl(1-m-tolyl-1H-indazol-6-yl)methanone
Product Availability
Choose a grade to view its available package options.
6 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260214 | 5mg / 25mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS451496-96-1
- Purity/Analytical Methods: >99.0%
451496-96-1 / [1-(3-methylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone
Basic Information
CAS
451496-96-1
Multi CAS
No
Molecular Formula
C20H21N3O
Molecular Weight
319.400000
Exact Mass
319.168462
InChI
InChI=1S/C20H21N3O/c1-15-6-5-7-17(12-15)23-14-21-18-13-16(8-9-19(18)23)20(24)22-10-3-2-4-11-22/h5-9,12-14H,2-4,10-11H2,1H3
InChIKey
YQNOQZALLOQMPY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
15
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
95.56
TPSA
38.13
LogP / Solubility
WLOGP
3.96
MLOGP
3.5
XLogP3
3.8
Consensus LogP
3.75
Log S (ESOL)
-4.65
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.04
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.26
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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