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CAS 716362-08-2 [1,2,4]triazolo[1,5-a]pyrimidin-2-ylacetic acid molecular structure lightbox
CAS RN: 716362-08-2

[1,2,4]triazolo[1,5-a]pyrimidin-2-ylacetic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250223 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS716362-08-2
  • Purity/Analytical Methods: >99.0%
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716362-08-2 / 2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid

Standard CAS: 716362-08-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
716362-08-2
Multi CAS
No
Molecular Formula
C7H6N4O2
Molecular Weight
178.150000
Exact Mass
178.049075
InChI
InChI=1S/C7H6N4O2/c12-6(13)4-5-9-7-8-2-1-3-11(7)10-5/h1-3H,4H2,(H,12,13)
InChIKey
GQLFTNOBABDOLE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
42.12
TPSA
80.38

LogP / Solubility

WLOGP
-0.25
MLOGP
-0.22
XLogP3
-0.4
Consensus LogP
-0.29
Log S (ESOL)
-1.17
Class (ESOL)
Soluble
Log S (Ali)
-0.84
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.85
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.98

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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