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CAS 1033202-12-8 3-(3-Bromophenyl)-1,2,4-oxadiazole molecular structure lightbox
CAS RN: 1033202-12-8

3-(3-Bromophenyl)-1,2,4-oxadiazole

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260114 100mg / 250mg / 500mg Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-004778
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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 1033202-12-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1033202-12-8 / 3-(3-bromophenyl)-1,2,4-oxadiazole

3-(3-Bromophenyl)-1,2,4-oxadiazole | MFCD10699671 | SCHEMBL13466167

Standard CAS: 1033202-12-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1033202-12-8
Multi CAS
No
Molecular Formula
C8H5BrN2O
Molecular Weight
225.040000
Exact Mass
223.958530
SMILES
C1=CC(=CC(=C1)Br)C2=NOC=N2
InChI
InChI=1S/C8H5BrN2O/c9-7-3-1-2-6(4-7)8-10-5-12-11-8/h1-5H
InChIKey
NJOGUMIPSJIRBL-UHFFFAOYSA-N
Synonyms
3-(3-Bromophenyl)-1,2,4-oxadiazole MFCD10699671 SCHEMBL13466167 SCHEMBL29930074 DTXSID10620495

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
47.43
TPSA
38.92

LogP / Solubility

WLOGP
2.5
MLOGP
2.2
XLogP3
2.5
Consensus LogP
2.4
Log S (ESOL)
-3.42
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.21
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.32
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.32

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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