![CAS 889451-24-5 3-BroMo-1-tosyl-1H-pyrazolo[3,4-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/889451-24-5.gif)
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 | Shenzhen | Inquiry |
889451-24-5 / 3-bromo-1-(4-methylphenyl)sulfonylpyrazolo[5,4-b]pyridine
Basic Information
CAS
889451-24-5
Multi CAS
No
Molecular Formula
BC13H10O2Rn3S
Molecular Weight
352.210000
Exact Mass
350.967710
InChI
InChI=1S/C13H10BrN3O2S/c1-9-4-6-10(7-5-9)20(18,19)17-13-11(12(14)16-17)3-2-8-15-13/h2-8H,1H3
InChIKey
YHNVMTSUQQQPLV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
15
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
78.99
TPSA
64.85
LogP / Solubility
WLOGP
2.74
MLOGP
2.43
XLogP3
3.5
Consensus LogP
2.89
Log S (ESOL)
-4.17
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.46
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)
-2.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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