CAS RN: 79315-62-1
4-(benzyloxy)-1-(phenylsulfonyl)-1H-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.20251017 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS79315-62-1
- Purity/Analytical Methods: >99.0%
79315-62-1 / 1-(benzenesulfonyl)-4-phenylmethoxyindole
Basic Information
CAS
79315-62-1
Multi CAS
No
Molecular Formula
C21H17NO3S
Molecular Weight
363.400000
Exact Mass
363.092915
InChI
InChI=1S/C21H17NO3S/c23-26(24,18-10-5-2-6-11-18)22-15-14-19-20(22)12-7-13-21(19)25-16-17-8-3-1-4-9-17/h1-15H,16H2
InChIKey
PJQIKOUOYALITN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
21
Fraction Csp3
0.05
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
101.74
TPSA
48.3
LogP / Solubility
WLOGP
4.46
MLOGP
3.94
XLogP3
4.7
Consensus LogP
4.37
Log S (ESOL)
-5.17
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.76
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.32
Class (SILICOS-IT)
Insoluble
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)
-1.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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