![CAS 885223-61-0 1H-Pyrazolo[3,4-c]pyridine-5-carboxaldehyde molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/885223-61-0.gif)
CAS RN: 885223-61-0
1H-Pyrazolo[3,4-c]pyridine-5-carboxaldehyde
- Product code: SSC-199257
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 1g, 0.25g
- Available purity: >95%
- Inventory rows with stock: 2
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
885223-61-0 / 1H-pyrazolo[3,4-c]pyridine-5-carbaldehyde
Basic Information
CAS
885223-61-0
Multi CAS
No
Molecular Formula
C7H5N3O
Molecular Weight
147.130000
Exact Mass
147.043262
InChI
InChI=1S/C7H5N3O/c11-4-6-1-5-2-9-10-7(5)3-8-6/h1-4H,(H,9,10)
InChIKey
SJDYVDHEUKAUEN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.28
TPSA
58.64
LogP / Solubility
WLOGP
0.77
MLOGP
0.67
XLogP3
0.3
Consensus LogP
0.58
Log S (ESOL)
-1.78
Class (ESOL)
Soluble
Log S (Ali)
-1.32
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.38
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.07
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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- CAS RN: 885223-66-5
- Product Code: SSC-199260
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2-(2,5-diMethyl-1H-pyrrol-1-yl)-5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)pyridine
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- Purity/Analytical method: >99.0%
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