CAS RN: 2408331-24-6
s-Indacen-4-amine, 1,2,3,5,6,7-hexahydro-8-iodo-
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.20250214 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2408331-24-6
- Purity/Analytical Methods: >99.0%
2408331-24-6 / 8-iodo-1,2,3,5,6,7-hexahydro-s-indacen-4-amine
Basic Information
CAS
2408331-24-6
Multi CAS
No
Molecular Formula
C12H14IN
Molecular Weight
299.150000
Exact Mass
299.017100
SMILES
C1CC2=C(C1)C(=C3CCCC3=C2N)I
InChI
InChI=1S/C12H14IN/c13-11-7-3-1-5-9(7)12(14)10-6-2-4-8(10)11/h1-6,14H2
InChIKey
GRPBJQANFUYFIE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
67.62
TPSA
26.02
LogP / Solubility
WLOGP
2.85
MLOGP
2.52
XLogP3
3.6
Consensus LogP
2.99
Log S (ESOL)
-3.81
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.07
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-3.97
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.52
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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