CAS RN: 35577-89-0
1-Tosyl-6,7-dihydro-1H-indole-4(5H)-one
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.20251202 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS35577-89-0
- Purity/Analytical Methods: >99.0%
35577-89-0 / 1-(4-methylphenyl)sulfonyl-6,7-dihydro-5H-indol-4-one
Basic Information
CAS
35577-89-0
Multi CAS
No
Molecular Formula
C15H15NO3S
Molecular Weight
289.400000
Exact Mass
289.077265
InChI
InChI=1S/C15H15NO3S/c1-11-5-7-12(8-6-11)20(18,19)16-10-9-13-14(16)3-2-4-15(13)17/h5-10H,2-4H2,1H3
InChIKey
YODKWYHJKWMTAO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
11
Fraction Csp3
0.27
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
75.46
TPSA
56.14
LogP / Solubility
WLOGP
2.55
MLOGP
2.26
XLogP3
2.4
Consensus LogP
2.4
Log S (ESOL)
-3.52
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.78
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.9
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
4-phenyl-1H-indole
- CAS RN: 35577-92-5
- Product Code: starshine_CAS35577-92-5
- Purity/Analytical method: >99.0%
-
-
-
-
-
