CAS RN: 184351-56-2
Potassium 2,3,3-Trimethyl-3H-indole-5-sulfonate
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260108 | 25mg / 100mg / 500mg / 5g / 25g | Confirm by inquiry | Shanghai, Shandong | 8-10 business days | Inquiry |
- Product code: SSC-085242
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: 5g
- Available purity: ＞97%
- 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 |
|---|---|---|---|---|
| 5g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
184351-56-2 / potassium 2,3,3-trimethylindole-5-sulfonate
Basic Information
CAS
184351-56-2
Multi CAS
No
Molecular Formula
C11H12KNO3S
Molecular Weight
277.380000
Exact Mass
277.017496
SMILES
CC1=NC2=C(C1(C)C)C=C(C=C2)S(=O)(=O)[O-].[K+]
InChI
InChI=1S/C11H13NO3S.K/c1-7-11(2,3)9-6-8(16(13,14)15)4-5-10(9)12-7;/h4-6H,1-3H3,(H,13,14,15);/q;+1/p-1
InChIKey
ZWIOSPCYIJAHKM-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
60.2
TPSA
69.56
LogP / Solubility
WLOGP
-1.02
MLOGP
-0.89
XLogP3
-1.02
Consensus LogP
-0.98
Log S (ESOL)
-1.11
Class (ESOL)
Soluble
Log S (Ali)
-1.1
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.73
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)
-5.14
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
![CAS 881219-73-4 1,2,3-Trimethyl-3H-benzo[e]indole molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/t3119-jpgcontextbwfzdgvyfhjvb3r8mzc2ntb8aw1hz2uvanblz3xomzmvaddllzg5mzi2nja4nzexotgvvdmxmtkuanbnfdviowrmzdc1n2yxymq2odfknwezzdizmgq0zjzimtg0mze1mgyzyjcymze4mzm1mmeyyjq0nzfmyzc2ywm5zjm.jpeg)
