CAS RN: 2102412-65-5
4,6-dichloro-2-(5-methyl-1H-pyrazol-1-yl)pyrimidine
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.20260616 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: SSC-100051
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 | Shanghai | Inquiry |
2102412-65-5 / 4,6-dichloro-2-(5-methylpyrazol-1-yl)pyrimidine
Basic Information
CAS
2102412-65-5
Multi CAS
No
Molecular Formula
C8H6Cl2N4
Molecular Weight
229.060000
Exact Mass
227.996952
SMILES
CC1=CC=NN1C2=NC(=CC(=N2)Cl)Cl
InChI
InChI=1S/C8H6Cl2N4/c1-5-2-3-11-14(5)8-12-6(9)4-7(10)13-8/h2-4H,1H3
InChIKey
PVOPHXZRMNAQQF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
11
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
53.91
TPSA
43.6
LogP / Solubility
WLOGP
2.28
MLOGP
2.01
XLogP3
2.8
Consensus LogP
2.36
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.16
Class (SILICOS-IT)
Poorly 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)
-2.5
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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