CAS RN: 122509-74-4
6-CHLORO-5-IODOINDOLE
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.20250710 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: LINC927114
122509-74-4 / 6-chloro-5-iodo-1H-indole
Basic Information
CAS
122509-74-4
Multi CAS
No
Molecular Formula
C8H5ClIN
Molecular Weight
277.490000
Exact Mass
276.915520
SMILES
C1=CNC2=CC(=C(C=C21)I)Cl
InChI
InChI=1S/C8H5ClIN/c9-6-4-8-5(1-2-11-8)3-7(6)10/h1-4,11H
InChIKey
KHJBSNUBUOHZAG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond donors
1
Molar refractivity
56.03
TPSA
15.79
LogP / Solubility
WLOGP
3.43
MLOGP
3.02
XLogP3
3.3
Consensus LogP
3.25
Log S (ESOL)
-4.32
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.31
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.31
Class (SILICOS-IT)
Slightly 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)
-1.98
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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