![CAS 23000-43-3 4-CHLORO-1-METHYL-1H-PYRAZOLO[3,4-D]PYRIMIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/23000-43-3.gif)
CAS RN: 23000-43-3
4-CHLORO-1-METHYL-1H-PYRAZOLO[3,4-D]PYRIMIDINE
- Product code: SSC-111740
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: 1g, 0.1g, 0.25g, 5g, 10g, 25g
- Available purity: ≥95%
- Inventory rows with stock: 1
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 3 In Stock | Beijing | Inquiry |
| 0.1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
| 0.25g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
| 5g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
| 10g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
| 25g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
23000-43-3 / 4-chloro-1-methylpyrazolo[5,4-d]pyrimidine
Basic Information
CAS
23000-43-3
Multi CAS
No
Molecular Formula
C6H5ClN4
Molecular Weight
168.580000
Exact Mass
168.020274
SMILES
CN1C2=C(C=N1)C(=NC=N2)Cl
InChI
InChI=1S/C6H5ClN4/c1-11-6-4(2-10-11)5(7)8-3-9-6/h2-3H,1H3
InChIKey
AVFLNALVPBLGEV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.17
H-bond acceptors
4
Molar refractivity
41.31
TPSA
43.6
LogP / Solubility
WLOGP
1.02
MLOGP
0.89
XLogP3
1.1
Consensus LogP
1
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.6
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)
-3.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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