CAS RN: 1693646-57-9
6-chloro-8-iodo-1,2-dihydroquinolin-2-one
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.20250708 | 100mg / 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: SSC-073936
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 | Beijing | Inquiry |
1693646-57-9 / 6-chloro-8-iodo-1H-quinolin-2-one
Basic Information
CAS
1693646-57-9
Multi CAS
No
Molecular Formula
C9H5ClINO
Molecular Weight
305.500000
Exact Mass
304.910440
SMILES
C1=CC(=O)NC2=C(C=C(C=C21)Cl)I
InChI
InChI=1S/C9H5ClINO/c10-6-3-5-1-2-8(13)12-9(5)7(11)4-6/h1-4H,(H,12,13)
InChIKey
RUDRHOJRIBZSNL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
H-bond acceptors
1
H-bond donors
1
Molar refractivity
62.3
TPSA
32.86
LogP / Solubility
WLOGP
2.79
MLOGP
2.46
XLogP3
2.6
Consensus LogP
2.62
Log S (ESOL)
-4.06
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-3.96
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.61
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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