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CAS 28565-43-7 7-chloro-5-phenyl[1,2,4]triazolo[1,5-a]pyrimidine molecular structure lightbox
CAS RN: 28565-43-7

7-chloro-5-phenyl[1,2,4]triazolo[1,5-a]pyrimidine

  • Product code: SSC-130007
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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 28565-43-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

28565-43-7 / 7-chloro-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine

Standard CAS: 28565-43-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
28565-43-7
Multi CAS
No
Molecular Formula
C11H7ClN4
Molecular Weight
230.650000
Exact Mass
230.035924
InChI
InChI=1S/C11H7ClN4/c12-10-6-9(8-4-2-1-3-5-8)15-11-13-7-14-16(10)11/h1-7H
InChIKey
PHVJNOYGIOXBRH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
61.23
TPSA
43.08

LogP / Solubility

WLOGP
2.44
MLOGP
2.16
XLogP3
2.7
Consensus LogP
2.43
Log S (ESOL)
-3.44
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.22
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.31
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)
-2.39

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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