CAS RN: 547-91-1
8-Hydroxy-7-iodoquinoline-5-sulfonic Acid
Product Availability
Choose a grade to view its available package options.
10 package records7 with current stock3 grade groups
- Product code: SSC-162513
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 | Hong Kong | Inquiry |
547-91-1 / 8-hydroxy-7-iodoquinoline-5-sulfonic acid
Basic Information
CAS
547-91-1
Multi CAS
Yes
Molecular Formula
C9H6InO4S
Molecular Weight
351.120000
Exact Mass
350.906230
InChI
InChI=1S/C9H6INO4S/c10-6-4-7(16(13,14)15)5-2-1-3-11-8(5)9(6)12/h1-4,12H,(H,13,14,15)
InChIKey
ZBJWWKFMHOAPNS-UHFFFAOYSA-N
Physical Properties
Physical Description
Sulfur yellow solid; Nearly odorless; [Merck Index] Yellow powder
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
65.94
TPSA
87.49
LogP / Solubility
WLOGP
1.79
MLOGP
1.59
XLogP3
1.2
Consensus LogP
1.53
Log S (ESOL)
-3.54
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.73
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.55
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
