CAS RN: 85092-84-8
3-iodo-1-methylindole
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.20260109 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS85092-84-8
- Purity/Analytical Methods: >99.0%
85092-84-8 / 3-iodo-1-methylindole
Basic Information
CAS
85092-84-8
Multi CAS
No
Molecular Formula
C9H8In
Molecular Weight
257.070000
Exact Mass
256.970150
InChI
InChI=1S/C9H8IN/c1-11-6-8(10)7-4-2-3-5-9(7)11/h2-6H,1H3
InChIKey
XGOPNOIIRMKMJR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.11
H-bond acceptors
1
Molar refractivity
55.64
TPSA
4.93
LogP / Solubility
WLOGP
2.78
MLOGP
2.46
XLogP3
2.7
Consensus LogP
2.65
Log S (ESOL)
-3.79
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.68
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.64
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)
-2.31
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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