CAS RN: 2086768-86-5
2-Quinolinamine, 3-bromo-7-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.20251125 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-098061
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
2086768-86-5 / 3-bromo-7-iodoquinolin-2-amine
Basic Information
CAS
2086768-86-5
Multi CAS
No
Molecular Formula
C9H6BrIN2
Molecular Weight
348.970000
Exact Mass
347.875910
SMILES
C1=CC(=CC2=NC(=C(C=C21)Br)N)I
InChI
InChI=1S/C9H6BrIN2/c10-7-3-5-1-2-6(11)4-8(5)13-9(7)12/h1-4H,(H2,12,13)
InChIKey
XIWUGFMDSFJHQD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
H-bond acceptors
2
H-bond donors
1
Molar refractivity
66.57
TPSA
38.91
LogP / Solubility
WLOGP
3.18
MLOGP
2.82
XLogP3
3.2
Consensus LogP
3.07
Log S (ESOL)
-4.58
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.72
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.57
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)
-2.59
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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