CAS RN: 942920-42-5
4-(3-Bromo-thiophen-2-yl)-1-(toluene-4-sulfonyl)-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.20250211 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS942920-42-5
- Purity/Analytical Methods: >99.0%
942920-42-5 / 4-(3-bromothiophen-2-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
Basic Information
CAS
942920-42-5
Multi CAS
Yes
Molecular Formula
BC18H13O2Rn2S2
Molecular Weight
433.300000
Exact Mass
431.960180
InChI
InChI=1S/C18H13BrN2O2S2/c1-12-2-4-13(5-3-12)25(22,23)21-10-7-15-14(6-9-20-18(15)21)17-16(19)8-11-24-17/h2-11H,1H3
InChIKey
UZHXYAIKTCQGHG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
20
Fraction Csp3
0.06
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
104.51
TPSA
51.96
LogP / Solubility
WLOGP
5.07
MLOGP
4.49
XLogP3
4.9
Consensus LogP
4.82
Log S (ESOL)
-6.12
Class (ESOL)
Insoluble
Log S (Ali)
-6.78
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.05
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)
-1.76
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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