![CAS 685513-97-7 1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid, 4-chloro-1-[tris(1-methylethyl)silyl]-, methyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/685513-97-7.gif)
CAS RN: 685513-97-7
1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid, 4-chloro-1-[tris(1-methylethyl)silyl]-, methyl ester
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.20260512 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-178284
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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ＞95% | 0 Out of Stock | Shenzhen | Inquiry |
685513-97-7 / methyl 4-chloro-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-5-carboxylate
Basic Information
CAS
685513-97-7
Multi CAS
Yes
Molecular Formula
C18H27CLN2O2SI
Molecular Weight
367.000000
Exact Mass
366.153032
InChI
InChI=1S/C18H27ClN2O2Si/c1-11(2)24(12(3)4,13(5)6)21-9-8-14-16(19)15(18(22)23-7)10-20-17(14)21/h8-13H,1-7H3
InChIKey
DBLJKHYYRJYZLR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
9
Fraction Csp3
0.56
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
102.53
TPSA
44.12
LogP / Solubility
WLOGP
5.5
MLOGP
4.86
XLogP3
5.5
Consensus LogP
5.29
Log S (ESOL)
-5.53
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.54
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.21
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)
-1.05
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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1H-Pyrrolo[2,3-b]pyridin-5-ol, 4-chloro-1-[tris(1-methylethyl)silyl]-
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- Product Code: SSC-178285
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1H-Pyrrolo[2,3-b]pyridin-5-ol, 1-[tris(1-methylethyl)silyl]-
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- Product Code: SSC-178286
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![CAS 685513-98-8 1H-Pyrrolo[2,3-b]pyridin-5-ol, 4-chloro-1-[tris(1-methylethyl)silyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/685513-98-8.gif)
![CAS 685514-01-6 1H-Pyrrolo[2,3-b]pyridin-5-ol, 1-[tris(1-methylethyl)silyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/685514-01-6.gif)
