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CAS 89032-77-9 ISOXAZOLE-5-CARBOXAMIDE molecular structure lightbox
CAS RN: 89032-77-9

ISOXAZOLE-5-CARBOXAMIDE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260227 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS89032-77-9
  • Purity/Analytical Methods: >99.0%
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89032-77-9 / 1,2-oxazole-5-carboxamide

Standard CAS: 89032-77-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
89032-77-9
Multi CAS
No
Molecular Formula
C4H4N2O2
Molecular Weight
112.090000
Exact Mass
112.027277
InChI
InChI=1S/C4H4N2O2/c5-4(7)3-1-2-6-8-3/h1-2H,(H2,5,7)
InChIKey
DSIBSRXKQRYPJP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
25.02
TPSA
69.12

LogP / Solubility

WLOGP
-0.23
MLOGP
-0.21
XLogP3
-0.4
Consensus LogP
-0.28
Log S (ESOL)
-0.79
Class (ESOL)
Very soluble
Log S (Ali)
-0.32
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.32
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)
-3.56

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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