CAS RN: 1843184-41-7
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.20250714 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1843184-41-7
- Purity/Analytical Methods: >99.0%
1843184-41-7 / N-(1-adamantyl)-1-(4-hydroxypentyl)indazole-3-carboxamide
Basic Information
CAS
1843184-41-7
Multi CAS
No
Molecular Formula
C23H31N3O2
Molecular Weight
381.500000
Exact Mass
381.241627
SMILES
CC(CCCN1C2=CC=CC=C2C(=N1)C(=O)NC34CC5CC(C3)CC(C5)C4)O
InChI
InChI=1S/C23H31N3O2/c1-15(27)5-4-8-26-20-7-3-2-6-19(20)21(25-26)22(28)24-23-12-16-9-17(13-23)11-18(10-16)14-23/h2-3,6-7,15-18,27H,4-5,8-14H2,1H3,(H,24,28)
InChIKey
RTBQZNKCFFBCBJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
9
Fraction Csp3
0.65
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
109.02
TPSA
67.15
LogP / Solubility
WLOGP
3.9
MLOGP
3.45
XLogP3
4.3
Consensus LogP
3.88
Log S (ESOL)
-4.5
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.09
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)
-2.28
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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