CAS RN: 303137-06-6
1,3-Naphthalenedisulfonic acid, 7-amino-, monopotassium salt, monohydrate
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.20260520 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS303137-06-6
- Purity/Analytical Methods: >99.0%
303137-06-6 / potassium;6-amino-4-sulfonaphthalene-2-sulfonate;hydrate
Basic Information
CAS
303137-06-6
Multi CAS
Yes
Molecular Formula
C10H10KNO7S2
Molecular Weight
359.400000
Exact Mass
358.953575
InChI
InChI=1S/C10H9NO6S2.K.H2O/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);;1H2/q;+1;/p-1
InChIKey
SHURQDDWGCOLFA-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
10
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
2
Molar refractivity
69.75
TPSA
169.09
LogP / Solubility
WLOGP
-3.25
MLOGP
-2.84
XLogP3
-3.25
Consensus LogP
-3.11
Log S (ESOL)
-0.24
Class (ESOL)
Very soluble
Log S (Ali)
-0.16
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.46
Class (SILICOS-IT)
Highly 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)
-7.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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