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CAS 89239-18-9 7-chloro-1,3-dimethyl-1H-pyrazolo[4,3-d]pyrimidine molecular structure lightbox
CAS RN: 89239-18-9

7-chloro-1,3-dimethyl-1H-pyrazolo[4,3-d]pyrimidine

  • Product code: SSC-201121
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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: ≥95%
  • 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 89239-18-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

89239-18-9 / 7-chloro-1,3-dimethylpyrazolo[4,5-d]pyrimidine

Standard CAS: 89239-18-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
89239-18-9
Multi CAS
No
Molecular Formula
C7H7CLN4
Molecular Weight
182.610000
Exact Mass
182.035924
InChI
InChI=1S/C7H7ClN4/c1-4-5-6(12(2)11-4)7(8)10-3-9-5/h3H,1-2H3
InChIKey
UDAJKLRGHKQVTN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.29
H-bond acceptors
4
Molar refractivity
46.05
TPSA
43.6

LogP / Solubility

WLOGP
1.33
MLOGP
1.16
XLogP3
1.3
Consensus LogP
1.26
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.01
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.95
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)
-2.89

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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