![CAS 651744-22-8 1H-Pyrrolo[2,3-b]pyridin-5-ol, 4-fluoro-1-[tris(1-methylethyl)silyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/651744-22-8.gif)
CAS RN: 651744-22-8
1H-Pyrrolo[2,3-b]pyridin-5-ol, 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.20260323 | 50mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS651744-22-8
- Purity/Analytical Methods: >99.0%
651744-22-8 / 4-fluoro-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-ol
Basic Information
CAS
651744-22-8
Multi CAS
Yes
Molecular Formula
C16FH25N2OSi
Molecular Weight
308.470000
Exact Mass
308.172018
InChI
InChI=1S/C16H25FN2OSi/c1-10(2)21(11(3)4,12(5)6)19-8-7-13-15(17)14(20)9-18-16(13)19/h7-12,20H,1-6H3
InChIKey
XSUGYHMHOALEIS-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
3
H-bond donors
1
Molar refractivity
87.8
TPSA
38.05
LogP / Solubility
WLOGP
4.9
MLOGP
4.33
XLogP3
4.9
Consensus LogP
4.71
Log S (ESOL)
-4.9
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.63
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.22
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
No
Log Kp (skin permeation)
-1.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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