![CAS 685513-91-1 1H-Pyrrolo[2,3-b]pyridine, 5-bromo-4-fluoro-1-[tris(1-methylethyl)silyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/685513-91-1.gif)
CAS RN: 685513-91-1
1H-Pyrrolo[2,3-b]pyridine, 5-bromo-4-fluoro-1-[tris(1-methylethyl)silyl]-
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.20250802 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS685513-91-1
- Purity/Analytical Methods: >99.0%
685513-91-1 / (5-bromo-4-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane
Basic Information
CAS
685513-91-1
Multi CAS
Yes
Molecular Formula
BC16H24N2RfSi
Molecular Weight
371.360000
Exact Mass
370.087620
InChI
InChI=1S/C16H24BrFN2Si/c1-10(2)21(11(3)4,12(5)6)20-8-7-13-15(18)14(17)9-19-16(13)20/h7-12H,1-6H3
InChIKey
AIJAFOFKGPWSSO-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
93.84
TPSA
17.82
LogP / Solubility
WLOGP
5.96
MLOGP
5.27
XLogP3
5.96
Consensus LogP
5.73
Log S (ESOL)
-5.95
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.91
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.5
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)
-0.75
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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