CAS RN: 1260383-53-6
6-Chloro-2-iodo-4-azaindole
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.20251127 | 50mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1260383-53-6
- Purity/Analytical Methods: >99.0%
1260383-53-6 / 6-chloro-2-iodo-1H-pyrrolo[3,2-b]pyridine
Basic Information
CAS
1260383-53-6
Multi CAS
No
Molecular Formula
C7H4ClIN2
Molecular Weight
278.480000
Exact Mass
277.910770
SMILES
C1=C(C=NC2=C1NC(=C2)I)Cl
InChI
InChI=1S/C7H4ClIN2/c8-4-1-6-5(10-3-4)2-7(9)11-6/h1-3,11H
InChIKey
XJDGUNJWYZVXGV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.82
TPSA
28.68
LogP / Solubility
WLOGP
2.82
MLOGP
2.49
XLogP3
2.4
Consensus LogP
2.57
Log S (ESOL)
-3.95
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.88
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.81
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)
-2.42
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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