CAS RN: 97399-94-5
Paniculidine B
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250101 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS97399-94-5
- Purity/Analytical Methods: >99.0%
97399-94-5 / 4-(1-methoxyindol-3-yl)-2-methylbutan-1-ol
Basic Information
CAS
97399-94-5
Multi CAS
Yes
Molecular Formula
C14H19NO2
Molecular Weight
233.310000
Exact Mass
233.141579
InChI
InChI=1S/C14H19NO2/c1-11(10-16)7-8-12-9-15(17-2)14-6-4-3-5-13(12)14/h3-6,9,11,16H,7-8,10H2,1-2H3
InChIKey
FGYVMFMFZWJGDY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.43
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
69.01
TPSA
34.39
LogP / Solubility
WLOGP
2.26
MLOGP
1.99
XLogP3
3.1
Consensus LogP
2.45
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.65
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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