![CAS 685513-92-2 1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid, 4-fluoro-1-[tris(1-methylethyl)silyl]-, methyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/685513-92-2.gif)
CAS RN: 685513-92-2
1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid, 4-fluoro-1-[tris(1-methylethyl)silyl]-, methyl ester
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: SSC-178283
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 | Beijing | Inquiry |
685513-92-2 / methyl 4-fluoro-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-5-carboxylate
Basic Information
CAS
685513-92-2
Multi CAS
No
Molecular Formula
C18FH27N2O2Si
Molecular Weight
350.500000
Exact Mass
350.182583
InChI
InChI=1S/C18H27FN2O2Si/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
XZCYLQFNGHAFPO-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
97.48
TPSA
44.12
LogP / Solubility
WLOGP
4.99
MLOGP
4.41
XLogP3
4.99
Consensus LogP
4.8
Log S (ESOL)
-5.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.03
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.68
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)
-1.32
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
Customers Also Viewed
-
![CAS 685513-97-7 1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid, 4-chloro-1-[tris(1-methylethyl)silyl]-, methyl ester molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid, 4-chloro-1-[tris(1-methylethyl)silyl]-, methyl ester
- CAS RN: 685513-97-7
- Product Code: SSC-178284
-
1H-Pyrrolo[2,3-b]pyridin-5-ol, 4-chloro-1-[tris(1-methylethyl)silyl]-
- CAS RN: 685513-98-8
- Product Code: SSC-178285
-
1H-Pyrrolo[2,3-b]pyridin-5-ol, 1-[tris(1-methylethyl)silyl]-
- CAS RN: 685514-01-6
- Product Code: SSC-178286
-
-
-
![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 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)
