CAS RN: 622387-85-3
3-(1-METHYLINDOL-3-YLMETHYLENE)-2-OXO-2,3-DIHYDROINDOLE-5-SULFONIC ACID AMIDE
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.20251008 | 1mg / 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS622387-85-3
- Purity/Analytical Methods: >99.0%
622387-85-3 / (3Z)-3-[(1-methylindol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide
Basic Information
CAS
622387-85-3
Multi CAS
Yes
Molecular Formula
C18H15N3O3S
Molecular Weight
353.400000
Exact Mass
353.083413
InChI
InChI=1S/C18H15N3O3S/c1-21-10-11(13-4-2-3-5-17(13)21)8-15-14-9-12(25(19,23)24)6-7-16(14)20-18(15)22/h2-10H,1H3,(H,20,22)(H2,19,23,24)/b15-8-
InChIKey
MLKHXLFEYOOYEY-NVNXTCNLSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
15
Fraction Csp3
0.06
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
97.23
TPSA
94.19
LogP / Solubility
WLOGP
2.32
MLOGP
2.06
XLogP3
1.5
Consensus LogP
1.96
Log S (ESOL)
-3.8
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.12
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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