CAS RN: 2160555-51-9
5-bromo APINACA
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.20250407 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2160555-51-9
- Purity/Analytical Methods: >99.0%
2160555-51-9 / N-(1-adamantyl)-1-(5-bromopentyl)indazole-3-carboxamide
Basic Information
CAS
2160555-51-9
Multi CAS
No
Molecular Formula
C23H30BrN3O
Molecular Weight
444.400000
Exact Mass
443.157230
SMILES
C1C2CC3CC1CC(C2)(C3)NC(=O)C4=NN(C5=CC=CC=C54)CCCCCBr
InChI
InChI=1S/C23H30BrN3O/c24-8-4-1-5-9-27-20-7-3-2-6-19(20)21(26-27)22(28)25-23-13-16-10-17(14-23)12-18(11-16)15-23/h2-3,6-7,16-18H,1,4-5,8-15H2,(H,25,28)
InChIKey
JKYXWDCDKGVNGP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
9
Fraction Csp3
0.65
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
1
Molar refractivity
115.75
TPSA
46.92
LogP / Solubility
WLOGP
5.3
MLOGP
4.69
XLogP3
5.6
Consensus LogP
5.2
Log S (ESOL)
-5.71
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.03
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.79
Class (SILICOS-IT)
Insoluble
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
Yes
Log Kp (skin permeation)
-1.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8
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