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CAS 944907-12-4 1,3,4-Oxadiazole-2-carboxylic acid molecular structure lightbox
CAS RN: 944907-12-4

1,3,4-Oxadiazole-2-carboxylic acid

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5 package records0 with current stock1 grade group
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Batchno.20250422 100mg Out of stock Inquiry
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  • Product code: starshine_CAS944907-12-4
  • Purity/Analytical Methods: >99.0%
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944907-12-4 / 1,3,4-oxadiazole-2-carboxylic acid

Standard CAS: 944907-12-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
944907-12-4
Multi CAS
No
Molecular Formula
C3H2N2O3
Molecular Weight
114.060000
Exact Mass
114.006542
InChI
InChI=1S/C3H2N2O3/c6-3(7)2-5-4-1-8-2/h1H,(H,6,7)
InChIKey
GYZPQJVSAQBAHP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
21.26
TPSA
76.22

LogP / Solubility

WLOGP
-0.23
MLOGP
-0.21
XLogP3
-0.4
Consensus LogP
-0.28
Log S (ESOL)
-0.8
Class (ESOL)
Very soluble
Log S (Ali)
-0.33
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.33
Class (SILICOS-IT)
Very 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)
-3.58

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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