CAS RN: 2246363-09-5
8-Chloro-7-fluoro-6-iodoisoquinolin-3-amine
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.20260218 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-109711
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 2
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
2246363-09-5 / 8-chloro-7-fluoro-6-iodoisoquinolin-3-amine
Basic Information
CAS
2246363-09-5
Multi CAS
No
Molecular Formula
C9H5ClFIN2
Molecular Weight
322.500000
Exact Mass
321.917000
SMILES
C1=C2C=C(N=CC2=C(C(=C1I)F)Cl)N
InChI
InChI=1S/C9H5ClFIN2/c10-8-5-3-14-7(13)2-4(5)1-6(12)9(8)11/h1-3H,(H2,13,14)
InChIKey
AFDSMFWTJZLLTD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
H-bond acceptors
2
H-bond donors
1
Molar refractivity
63.84
TPSA
38.91
LogP / Solubility
WLOGP
3.21
MLOGP
2.84
XLogP3
3.1
Consensus LogP
3.05
Log S (ESOL)
-4.39
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.53
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.42
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.41
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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