CAS RN: 1863065-90-0
5-fluoro ADB-PINACA
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.20251004 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1863065-90-0
- Purity/Analytical Methods: >99.0%
1863065-90-0 / N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-(5-fluoropentyl)indazole-3-carboxamide
Basic Information
CAS
1863065-90-0
Multi CAS
No
Molecular Formula
C19H27FN4O2
Molecular Weight
362.400000
Exact Mass
362.211804
SMILES
CC(C)(C)C(C(=O)N)NC(=O)C1=NN(C2=CC=CC=C21)CCCCCF
InChI
InChI=1S/C19H27FN4O2/c1-19(2,3)16(17(21)25)22-18(26)15-13-9-5-6-10-14(13)24(23-15)12-8-4-7-11-20/h5-6,9-10,16H,4,7-8,11-12H2,1-3H3,(H2,21,25)(H,22,26)
InChIKey
SOYDDJYBRCNNIT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
9
Fraction Csp3
0.53
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
2
Molar refractivity
99.46
TPSA
90.01
LogP / Solubility
WLOGP
2.81
MLOGP
2.49
XLogP3
3.2
Consensus LogP
2.83
Log S (ESOL)
-3.58
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.56
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.3
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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