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, 1g, 5g, 10g
- Available purity: >95%
- Inventory rows with stock: 3
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | >95% | 1 In Stock | Shanghai | Inquiry |
| 0.25g | >95% | 1 In Stock | Shenzhen | Inquiry |
| 1g | >95% | 1 In Stock | Beijing | Inquiry |
| 5g | >95% | 0 Out of Stock | Hong Kong | Inquiry |
| 10g | >95% | 0 Out of Stock | Shanghai | Inquiry |
1021913-03-0 / 7-chloro-6-iodo-1H-quinolin-4-one
7-CHLORO-6-IODOQUINOLIN-4-OL | 7-Chloro-6-iodo-1H-quinolin-4-one | 7-Chloro-6-iodoquinolin-4(1H)-one
Basic Information
CAS
1021913-03-0
Multi CAS
No
Molecular Formula
C9H5ClINO
Molecular Weight
305.500000
Exact Mass
304.910440
SMILES
C1=CNC2=CC(=C(C=C2C1=O)I)Cl
InChI
InChI=1S/C9H5ClINO/c10-6-4-8-5(3-7(6)11)9(13)1-2-12-8/h1-4H,(H,12,13)
InChIKey
WOCKEJPQIBCNFE-UHFFFAOYSA-N
Synonyms
7-CHLORO-6-IODOQUINOLIN-4-OL
7-Chloro-6-iodo-1H-quinolin-4-one
7-Chloro-6-iodoquinolin-4(1H)-one
MFCD15527283
7-Chloro-6-iodo-4-quinolinol
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
2.8
Consensus LogP
2.68
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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