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CAS 189116-36-7 5-chloro-2-methylpyrazolo[1,5-a]pyrimidine molecular structure lightbox
CAS RN: 189116-36-7

5-chloro-2-methylpyrazolo[1,5-a]pyrimidine

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250403 100mg In stock Shanghai Inquiry
Batchno.20250131 1g In stock Shanghai Inquiry
Batchno.20251223 250mg In stock Shanghai Inquiry
Batchno.20260430 5g In stock Shanghai Inquiry
  • Product code: SSC-088226
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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: ≥98%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 189116-36-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Shanghai Inquiry

189116-36-7 / 5-chloro-2-methylpyrazolo[1,5-a]pyrimidine

Standard CAS: 189116-36-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
189116-36-7
Multi CAS
No
Molecular Formula
C7H6ClN3
Molecular Weight
167.590000
Exact Mass
167.025025
SMILES
CC1=NN2C=CC(=NC2=C1)Cl
InChI
InChI=1S/C7H6ClN3/c1-5-4-7-9-6(8)2-3-11(7)10-5/h2-4H,1H3
InChIKey
CFBYPOBAHXWIFK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.14
H-bond acceptors
3
Molar refractivity
42.73
TPSA
30.19

LogP / Solubility

WLOGP
1.69
MLOGP
1.48
XLogP3
1.7
Consensus LogP
1.62
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.16
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.15
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.54

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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