CAS RN: 842-15-9
Monopotassium 7-Amino-1,3-naphthalenedisulfonate Hydrate
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: SSC-191758
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: 25g
- 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 |
|---|---|---|---|---|
| 25g | ＞95% | 0 Out of Stock | Beijing | Inquiry |
842-15-9 / potassium 7-amino-3-sulfonaphthalene-1-sulfonate
Basic Information
CAS
842-15-9
Multi CAS
Yes
Molecular Formula
C10H8KNO6S2
Molecular Weight
341.400000
Exact Mass
340.943011
InChI
InChI=1S/C10H9NO6S2.K/c11-7-2-1-6-3-8(18(12,13)14)5-10(9(6)4-7)19(15,16)17;/h1-5H,11H2,(H,12,13,14)(H,15,16,17);/q;+1/p-1
InChIKey
GOPRYBNRWIBTIH-UHFFFAOYSA-M
Physical Properties
Physical Description
Water or Solvent Wet Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
10
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
2
Molar refractivity
66.14
TPSA
137.59
LogP / Solubility
WLOGP
-2.42
MLOGP
-2.12
XLogP3
-2.42
Consensus LogP
-2.32
Log S (ESOL)
-0.67
Class (ESOL)
Very soluble
Log S (Ali)
-0.61
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.11
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.52
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
