![CAS 875639-49-9 5-BROMO-3-IODO-1-TRIISOPROPYLSILANYL-1H-PYRROLO[2,3-B]PYRIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/875639-49-9.gif)
CAS RN: 875639-49-9
5-BROMO-3-IODO-1-TRIISOPROPYLSILANYL-1H-PYRROLO[2,3-B]PYRIDINE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250815 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS875639-49-9
- Purity/Analytical Methods: >99.0%
875639-49-9 / (5-bromo-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane
Basic Information
CAS
875639-49-9
Multi CAS
Yes
Molecular Formula
C16H24BRIN2SI
Molecular Weight
479.270000
Exact Mass
477.993690
InChI
InChI=1S/C16H24BrIN2Si/c1-10(2)21(11(3)4,12(5)6)20-9-15(18)14-7-13(17)8-19-16(14)20/h7-12H,1-6H3
InChIKey
HLOOLAJLGYWXQW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
9
Fraction Csp3
0.56
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
106.6
TPSA
17.82
LogP / Solubility
WLOGP
6.43
MLOGP
5.69
XLogP3
6.43
Consensus LogP
6.18
Log S (ESOL)
-6.91
Class (ESOL)
Insoluble
Log S (Ali)
-8.13
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.59
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-1.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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