![CAS 934178-97-9 7-Tosyl-7H-Pyrrolo[2,3-d]pyrimidine-5-boronic acid pinacol ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/934178-97-9.gif)
CAS RN: 934178-97-9
7-Tosyl-7H-Pyrrolo[2,3-d]pyrimidine-5-boronic acid pinacol 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.20260501 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-207614
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: ＞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 |
|---|---|---|---|---|
| 0.25g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
934178-97-9 / 7-(4-methylphenyl)sulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-d]pyrimidine
Basic Information
CAS
934178-97-9
Multi CAS
No
Molecular Formula
BC19H22N3O4S
Molecular Weight
399.300000
Exact Mass
399.142408
InChI
InChI=1S/C19H22BN3O4S/c1-13-6-8-14(9-7-13)28(24,25)23-11-16(15-10-21-12-22-17(15)23)20-26-18(2,3)19(4,5)27-20/h6-12H,1-5H3
InChIKey
ZYPOBLQBYBAHND-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
15
Fraction Csp3
0.37
Rotatable bonds
3
H-bond acceptors
7
Molar refractivity
107.01
TPSA
83.31
LogP / Solubility
WLOGP
2.28
MLOGP
2.03
XLogP3
2.28
Consensus LogP
2.2
Log S (ESOL)
-3.95
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.48
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.5
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.54
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
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