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CAS 89793-29-3 7-Chloro-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine molecular structure lightbox
CAS RN: 89793-29-3

7-Chloro-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine

  • Product code: SSC-201841
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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 89793-29-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

89793-29-3 / 7-chloro-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine

Standard CAS: 89793-29-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
89793-29-3
Multi CAS
No
Molecular Formula
C7H7CLN4
Molecular Weight
182.610000
Exact Mass
182.035924
InChI
InChI=1S/C7H7ClN4/c1-4-5(2)11-7-9-3-10-12(7)6(4)8/h3H,1-2H3
InChIKey
RPHBQCUEWQSJTD-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
45.27
TPSA
43.08

LogP / Solubility

WLOGP
1.39
MLOGP
1.23
XLogP3
1.8
Consensus LogP
1.47
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.06
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2
Class (SILICOS-IT)
Moderately 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)
-2.84

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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