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CAS 83817-44-1 2-(3-bromophenyl)-5-phenyl-1,3,4-oxadiazole molecular structure lightbox
CAS RN: 83817-44-1

2-(3-bromophenyl)-5-phenyl-1,3,4-oxadiazole

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250707 100mg In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260625 1g In stock Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250630 250mg In stock Shenzhen, Wuhan Inquiry
Batchno.20251123 5g Out of stock Inquiry
  • Product code: SSC-191522
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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: ＞97%
  • 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 83817-44-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

83817-44-1 / 2-(3-bromophenyl)-5-phenyl-1,3,4-oxadiazole

Standard CAS: 83817-44-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
83817-44-1
Multi CAS
Yes
Molecular Formula
BC14H9ORn2
Molecular Weight
301.140000
Exact Mass
299.989830
InChI
InChI=1S/C14H9BrN2O/c15-12-8-4-7-11(9-12)14-17-16-13(18-14)10-5-2-1-3-6-10/h1-9H
InChIKey
AWSLTYZLUOJESZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
17
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
72.87
TPSA
38.92

LogP / Solubility

WLOGP
4.17
MLOGP
3.68
XLogP3
3.8
Consensus LogP
3.88
Log S (ESOL)
-4.9
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.04
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.32
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.6

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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