CAS RN: 1843184-42-8
5-fluoro AKB48 N-(4-hydroxypentyl) metabolite
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.20250108 | 500μg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1843184-42-8
- Purity/Analytical Methods: >99.0%
1843184-42-8 / N-(1-adamantyl)-1-(5-fluoro-4-hydroxypentyl)indazole-3-carboxamide
Basic Information
CAS
1843184-42-8
Multi CAS
No
Molecular Formula
C23H30FN3O2
Molecular Weight
399.500000
Exact Mass
399.232205
SMILES
C1C2CC3CC1CC(C2)(C3)NC(=O)C4=NN(C5=CC=CC=C54)CCCC(CF)O
InChI
InChI=1S/C23H30FN3O2/c24-14-18(28)4-3-7-27-20-6-2-1-5-19(20)21(26-27)22(29)25-23-11-15-8-16(12-23)10-17(9-15)13-23/h1-2,5-6,15-18,28H,3-4,7-14H2,(H,25,29)
InChIKey
BOGHQNVNYXAOJR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
9
Fraction Csp3
0.65
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
2
Molar refractivity
109.32
TPSA
67.15
LogP / Solubility
WLOGP
3.85
MLOGP
3.41
XLogP3
4.2
Consensus LogP
3.82
Log S (ESOL)
-4.51
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.61
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.29
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)
-2.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
8.5
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