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CAS 887591-58-4 3-(5-AMINO-ISOXAZOL-3-YL)-PHENOL molecular structure lightbox
CAS RN: 887591-58-4

3-(5-AMINO-ISOXAZOL-3-YL)-PHENOL

Product Availability

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250222 100mg / 250mg Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260517 100mg In stock Shanghai Inquiry
Batchno.20260420 1g In stock Shanghai Inquiry
Batchno.20250208 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS887591-58-4
  • Purity/Analytical Methods: >99.0%
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887591-58-4 / 3-(5-amino-1,2-oxazol-3-yl)phenol

Standard CAS: 887591-58-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
887591-58-4
Multi CAS
No
Molecular Formula
C9H8N2O2
Molecular Weight
176.170000
Exact Mass
176.058578
InChI
InChI=1S/C9H8N2O2/c10-9-5-8(11-13-9)6-2-1-3-7(12)4-6/h1-5,12H,10H2
InChIKey
ZDTNUIUFIFCZOA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
48.02
TPSA
72.28

LogP / Solubility

WLOGP
1.63
MLOGP
1.43
XLogP3
1.3
Consensus LogP
1.45
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.28
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)
-2.64

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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