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CAS 501653-22-1 5-(CHLOROMETHYL)-3-(2-FURYL)-1,2,4-OXADIAZOLE molecular structure lightbox
CAS RN: 501653-22-1

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

  • Product code: SSC-156564
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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 501653-22-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

501653-22-1 / 5-(chloromethyl)-3-(furan-2-yl)-1,2,4-oxadiazole

Standard CAS: 501653-22-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
501653-22-1
Multi CAS
No
Molecular Formula
C7H5CLN2O2
Molecular Weight
184.580000
Exact Mass
184.003955
InChI
InChI=1S/C7H5ClN2O2/c8-4-6-9-7(10-12-6)5-2-1-3-11-5/h1-3H,4H2
InChIKey
OJQHUMFLEARHQO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
41.56
TPSA
52.06

LogP / Solubility

WLOGP
2.07
MLOGP
1.82
XLogP3
1.3
Consensus LogP
1.73
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.57
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
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)
-2.38

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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