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CAS 96829-89-9 2-Oxazolecarboxaldehyde, 5-phenyl- molecular structure lightbox
CAS RN: 96829-89-9

2-Oxazolecarboxaldehyde, 5-phenyl-

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6 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250805 100mg In stock Shanghai Inquiry
Batchno.20251119 1g In stock Shanghai Inquiry
Batchno.20250507 250mg In stock Shanghai Inquiry
Batchno.20251223 50mg In stock Shanghai Inquiry
Batchno.20260221 50mg / 250mg Out of stock 8-10 business days Inquiry
Batchno.20260525 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS96829-89-9
  • Purity/Analytical Methods: >99.0%
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96829-89-9 / 5-phenyl-1,3-oxazole-2-carbaldehyde

Standard CAS: 96829-89-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
96829-89-9
Multi CAS
No
Molecular Formula
C10H7NO2
Molecular Weight
173.170000
Exact Mass
173.047678
InChI
InChI=1S/C10H7NO2/c12-7-10-11-6-9(13-10)8-4-2-1-3-5-8/h1-7H
InChIKey
GJRAYWVAZQGENN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
47.33
TPSA
43.1

LogP / Solubility

WLOGP
2.15
MLOGP
1.89
XLogP3
1.8
Consensus LogP
1.95
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.81
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)
-2.25

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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