CAS RN: 90481-77-9
3-Bromo-N-(p-toluenesulfonyl)indole
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.20260428 | 25g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS90481-77-9
- Purity/Analytical Methods: >99.0%
90481-77-9 / 3-bromo-1-(4-methylphenyl)sulfonylindole
Basic Information
CAS
90481-77-9
Multi CAS
No
Molecular Formula
BC15H12O2RnS
Molecular Weight
350.200000
Exact Mass
348.977210
InChI
InChI=1S/C15H12BrNO2S/c1-11-6-8-12(9-7-11)20(18,19)17-10-14(16)13-4-2-3-5-15(13)17/h2-10H,1H3
InChIKey
VQWIINXTMHBRDW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
83.4
TPSA
39.07
LogP / Solubility
WLOGP
3.95
MLOGP
3.49
XLogP3
4.3
Consensus LogP
3.91
Log S (ESOL)
-4.92
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.45
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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