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CAS 189120-01-2 2-(4-BROMOPHENYL)-4,5-DIHYDROOXAZOLE molecular structure lightbox
CAS RN: 189120-01-2

2-(4-BROMOPHENYL)-4,5-DIHYDROOXAZOLE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250623 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-088232
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 189120-01-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

189120-01-2 / 2-(4-bromophenyl)-4,5-dihydro-1,3-oxazole

Standard CAS: 189120-01-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
189120-01-2
Multi CAS
No
Molecular Formula
C9H8BrNO
Molecular Weight
226.070000
Exact Mass
224.978930
SMILES
C1COC(=N1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C9H8BrNO/c10-8-3-1-7(2-4-8)9-11-5-6-12-9/h1-4H,5-6H2
InChIKey
OHJDDVYUQCSBSG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
51.5
TPSA
21.59

LogP / Solubility

WLOGP
2.23
MLOGP
1.96
XLogP3
2.1
Consensus LogP
2.1
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.02
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.1
Class (SILICOS-IT)
Poorly 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)
-2.52

Drug-likeness / Medicinal Chemistry

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

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