![CAS 685513-89-7 1H-Pyrrolo[2,3-b]pyridine, 4,5-difluoro-1-[tris(1-methylethyl)silyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/685513-89-7.gif)
CAS RN: 685513-89-7
1H-Pyrrolo[2,3-b]pyridine, 4,5-difluoro-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.20250808 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-178282
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
685513-89-7 / (4,5-difluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane
Basic Information
CAS
685513-89-7
Multi CAS
Yes
Molecular Formula
C16F2H24N2Si
Molecular Weight
310.460000
Exact Mass
310.167682
InChI
InChI=1S/C16H24F2N2Si/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
HAFOIXWXVNRUNO-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
86.1
TPSA
17.82
LogP / Solubility
WLOGP
5.34
MLOGP
4.71
XLogP3
5.34
Consensus LogP
5.13
Log S (ESOL)
-5.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.96
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.59
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)
-0.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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