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CAS 51791-12-9 3-(CHLOROMETHYL)-1,2,4-OXADIAZOLE molecular structure lightbox
CAS RN: 51791-12-9

3-(CHLOROMETHYL)-1,2,4-OXADIAZOLE

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250407 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250307 1g In stock Shanghai, Chengdu Inquiry
Batchno.20250806 250mg In stock Shanghai, Wuhan, Chengdu Inquiry
Batchno.20250526 5g In stock Chengdu Inquiry
  • Product code: SSC-158759
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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: 5g
  • 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 51791-12-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

51791-12-9 / 3-(chloromethyl)-1,2,4-oxadiazole

Standard CAS: 51791-12-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
51791-12-9
Multi CAS
No
Molecular Formula
C3H3CLN2O
Molecular Weight
118.520000
Exact Mass
117.993390
InChI
InChI=1S/C3H3ClN2O/c4-1-3-5-2-7-6-3/h2H,1H2
InChIKey
YSNKGJCEHOJIDK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
23.85
TPSA
38.92

LogP / Solubility

WLOGP
0.81
MLOGP
0.7
XLogP3
0.6
Consensus LogP
0.7
Log S (ESOL)
-1.55
Class (ESOL)
Soluble
Log S (Ali)
-1.12
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.22
Class (SILICOS-IT)
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)
-2.87

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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