![CAS 888721-03-7 (4-chloro-1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-pyrrolo[2,3-b]pyridin-2-yl)boronic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/888721-03-7.gif)
CAS RN: 888721-03-7
(4-chloro-1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-pyrrolo[2,3-b]pyridin-2-yl)boronic acid
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.20250716 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-200587
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 |
888721-03-7 / [4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]boronic acid
Basic Information
CAS
888721-03-7
Multi CAS
No
Molecular Formula
C13H20BCLN2O3SI
Molecular Weight
326.660000
Exact Mass
326.102477
InChI
InChI=1S/C13H20BClN2O3Si/c1-21(2,3)7-6-20-9-17-12(14(18)19)8-10-11(15)4-5-16-13(10)17/h4-5,8,18-19H,6-7,9H2,1-3H3
InChIKey
ASPZZZQISULCMI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
9
Fraction Csp3
0.46
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
2
Molar refractivity
88.67
TPSA
67.51
LogP / Solubility
WLOGP
1.68
MLOGP
1.5
XLogP3
1.68
Consensus LogP
1.62
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.45
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.9
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.52
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
Customers Also Viewed
-
1-(4-fluorophenyl)-6-Methyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
- CAS RN: 888721-65-1
- Product Code: SSC-200588
-
6-broMopyrrolo[1,2-f][1,2,4]triazin-4(3H)-one
- CAS RN: 888721-83-3
- Product Code: SSC-200589
-
2-Morpholinopyridine-4-boronic acid, pinacol ester
- CAS RN: 888721-86-6
- Product Code: SSC-200590
-
7-Methoxy-2,2-diMethyl-4H-1,3-benzodioxin-4-one
- CAS RN: 888723-96-4
- Product Code: SSC-200591
-
2-HYDROXYETHYL-TRIMETHYLAMMONIUM L-(+)-L
- CAS RN: 888724-51-4
- Product Code: starshine_CAS888724-51-4
- Purity/Analytical method: >99.0%
-
![CAS 888721-83-3 6-broMopyrrolo[1,2-f][1,2,4]triazin-4(3H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/888721-83-3.gif)
