![CAS 916176-50-6 1-TOSYL-1H-PYRROLO[2,3-B]PYRIDINE-4-BORONIC ACID PINACOL ESTER molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/916176-50-6.gif)
CAS RN: 916176-50-6
1-TOSYL-1H-PYRROLO[2,3-B]PYRIDINE-4-BORONIC ACID PINACOL ESTER
- Product code: SSC-204918
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: ＞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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
916176-50-6 / 1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine
Basic Information
CAS
916176-50-6
Multi CAS
Yes
Molecular Formula
BC20H23N2O4S
Molecular Weight
398.300000
Exact Mass
398.147159
InChI
InChI=1S/C20H23BN2O4S/c1-14-6-8-15(9-7-14)28(24,25)23-13-11-16-17(10-12-22-18(16)23)21-26-19(2,3)20(4,5)27-21/h6-13H,1-5H3
InChIKey
HGLJGFMGEOLFQL-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
-
![CAS 916176-51-7 1H-pyrrolo[2,3-b]pyridine, 5-chloro-, 7-oxide 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-chloro-, 7-oxide
- CAS RN: 916176-51-7
- Product Code: SSC-204919
-
-
1H-Pyrrolo[2,3-b]pyridine, 4-bromo-5-chloro-1-[(4-methylphenyl)sulfonyl]-
- CAS RN: 916176-53-9
- Product Code: SSC-204921
-
-
5-(Methoxycarbonyl)-1-tosyl-1H-pyrrol-3-yl-3-boronic acid
- CAS RN: 916177-00-9
- Product Code: SSC-204923
-
1H-Pyrrolo[2,3-b]pyridine, 4-broMo-5-fluoro-
- CAS RN: 916177-01-0
- Product Code: SSC-204924
![CAS 916176-51-7 1H-pyrrolo[2,3-b]pyridine, 5-chloro-, 7-oxide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/916176-51-7.gif)
![CAS 916176-53-9 1H-Pyrrolo[2,3-b]pyridine, 4-bromo-5-chloro-1-[(4-methylphenyl)sulfonyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/916176-53-9.gif)
![CAS 916177-01-0 1H-Pyrrolo[2,3-b]pyridine, 4-broMo-5-fluoro- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/916177-01-0.gif)