CAS RN: 52206-06-1
1H-Indole-5-sulfonamide,2,3-dihydro-(9CI)
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.20260521 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS52206-06-1
- Purity/Analytical Methods: >99.0%
52206-06-1 / 2,3-dihydro-1H-indole-5-sulfonamide
Basic Information
CAS
52206-06-1
Multi CAS
No
Molecular Formula
C8H10N2O2S
Molecular Weight
198.240000
Exact Mass
198.046299
InChI
InChI=1S/C8H10N2O2S/c9-13(11,12)7-1-2-8-6(5-7)3-4-10-8/h1-2,5,10H,3-4H2,(H2,9,11,12)
InChIKey
OUKHIWJLLBKKKN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
50.01
TPSA
72.19
LogP / Solubility
WLOGP
0.3
MLOGP
0.27
XLogP3
0.8
Consensus LogP
0.46
Log S (ESOL)
-1.53
Class (ESOL)
Soluble
Log S (Ali)
-1.4
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.32
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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