![CAS 866545-91-7 1H-Pyrrolo[2,3-b]pyridine, 1-[(4-methylphenyl)sulfonyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/866545-91-7.gif)
CAS RN: 866545-91-7
1H-Pyrrolo[2,3-b]pyridine, 1-[(4-methylphenyl)sulfonyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250730 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: SSC-195868
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, 1g, 5g
- Available purity: >97%
- 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.
866545-91-7 / 1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine
Basic Information
CAS
866545-91-7
Multi CAS
Yes
Molecular Formula
BC20H23N2O4S
Molecular Weight
398.300000
Exact Mass
398.147159
InChI
InChI=1S/C20H23BN2O4S/c1-14-8-10-15(11-9-14)28(24,25)23-13-17(16-7-6-12-22-18(16)23)21-26-19(2,3)20(4,5)27-21/h6-13H,1-5H3
InChIKey
NXAUWIGLTZPZKD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
15
Fraction Csp3
0.35
Rotatable bonds
3
H-bond acceptors
6
Molar refractivity
109.21
TPSA
70.42
LogP / Solubility
WLOGP
2.88
MLOGP
2.56
XLogP3
2.88
Consensus LogP
2.77
Log S (ESOL)
-4.32
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.91
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.1
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
3
Customers Also Viewed
-
-
-
1H-Pyrrolo[2,3-b]pyridine, 3-bromo-5-chloro-1-[(4-methylphenyl)sulfonyl]-
- CAS RN: 866546-10-3
- Product Code: SSC-195872
-
1H-Pyrrolo[2,3-b]pyridine, 5-chloro-1-[(4-Methylphenyl)sulfonyl]-3-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)
- CAS RN: 866546-11-4
- Product Code: SSC-195873
-
2-methoxy-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
- CAS RN: 866546-13-6
- Product Code: starshine_CAS866546-13-6
- Purity/Analytical method: >99.0%
-
![CAS 866546-09-0 3-bromo-5-chloro-1H-pyrrolo[2,3-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/866546-09-0.gif)
![CAS 866546-10-3 1H-Pyrrolo[2,3-b]pyridine, 3-bromo-5-chloro-1-[(4-methylphenyl)sulfonyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/866546-10-3.gif)
![CAS 866546-11-4 1H-Pyrrolo[2,3-b]pyridine, 5-chloro-1-[(4-Methylphenyl)sulfonyl]-3-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/866546-11-4.gif)
