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CAS 87488-63-9 Benzenamine, 2-(5-isoxazolyl)- (9CI) molecular structure lightbox
CAS RN: 87488-63-9

Benzenamine, 2-(5-isoxazolyl)- (9CI)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250203 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS87488-63-9
  • Purity/Analytical Methods: >99.0%
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87488-63-9 / 2-(1,2-oxazol-5-yl)aniline

Standard CAS: 87488-63-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
87488-63-9
Multi CAS
No
Molecular Formula
C9H8N2O
Molecular Weight
160.170000
Exact Mass
160.063663
InChI
InChI=1S/C9H8N2O/c10-8-4-2-1-3-7(8)9-5-6-11-12-9/h1-6H,10H2
InChIKey
PYHMSJLBJJLMRU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
46.35
TPSA
52.05

LogP / Solubility

WLOGP
1.92
MLOGP
1.69
XLogP3
1.3
Consensus LogP
1.64
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.26
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.42
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.33

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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