![CAS 1601850-48-9 4,5-Dichloro-1-methyl-1H-pyrazolo[3,4-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1601850-48-9.gif)
CAS RN: 1601850-48-9
4,5-Dichloro-1-methyl-1H-pyrazolo[3,4-b]pyridine
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.20260114 | 100mg / 500mg | Out of stock | 15 business days | Inquiry |
- Product code: SSC-068168
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 | Hong Kong | Inquiry |
1601850-48-9 / 4,5-dichloro-1-methylpyrazolo[3,4-b]pyridine
Basic Information
CAS
1601850-48-9
Multi CAS
No
Molecular Formula
C7H5Cl2N3
Molecular Weight
202.040000
Exact Mass
200.986053
SMILES
CN1C2=NC=C(C(=C2C=N1)Cl)Cl
InChI
InChI=1S/C7H5Cl2N3/c1-12-7-4(2-11-12)6(9)5(8)3-10-7/h2-3H,1H3
InChIKey
XJCWGZBQRGDBRK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.14
H-bond acceptors
3
Molar refractivity
48.53
TPSA
30.71
LogP / Solubility
WLOGP
2.28
MLOGP
2
XLogP3
2.1
Consensus LogP
2.13
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.86
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.86
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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