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CAS 23195-65-5 3-(2-Furyl)-1H-1,2,4-triazole molecular structure lightbox
CAS RN: 23195-65-5

3-(2-Furyl)-1H-1,2,4-triazole

  • Product code: SSC-112750
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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 23195-65-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

23195-65-5 / 5-(furan-2-yl)-1H-1,2,4-triazole

Standard CAS: 23195-65-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23195-65-5
Multi CAS
No
Molecular Formula
C6H5N3O
Molecular Weight
135.120000
Exact Mass
135.043262
SMILES
C1=COC(=C1)C2=NC=NN2
InChI
InChI=1S/C6H5N3O/c1-2-5(10-3-1)6-7-4-8-9-6/h1-4H,(H,7,8,9)
InChIKey
DRECSUVFISSLIO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
34.08
TPSA
54.71

LogP / Solubility

WLOGP
1.06
MLOGP
0.93
XLogP3
0.7
Consensus LogP
0.9
Log S (ESOL)
-2.02
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.44
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.54
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)
-2.79

Drug-likeness / Medicinal Chemistry

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

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