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CAS 23766-28-1 5-(4-CHLOROPHENYL)-1,3,4-OXADIAZOLE-2-T& molecular structure lightbox
CAS RN: 23766-28-1

5-(4-CHLOROPHENYL)-1,3,4-OXADIAZOLE-2-T&

  • Product code: SSC-115581
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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 23766-28-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

23766-28-1 / 5-(4-chlorophenyl)-3H-1,3,4-oxadiazole-2-thione

Standard CAS: 23766-28-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23766-28-1
Multi CAS
No
Molecular Formula
C8H5ClN2OS
Molecular Weight
212.660000
Exact Mass
211.981112
SMILES
C1=CC(=CC=C1C2=NNC(=S)O2)Cl
InChI
InChI=1S/C8H5ClN2OS/c9-6-3-1-5(2-4-6)7-10-11-8(13)12-7/h1-4H,(H,11,13)
InChIKey
MUFWSGAENICYQA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.13
TPSA
41.82

LogP / Solubility

WLOGP
3.05
MLOGP
2.69
XLogP3
2.7
Consensus LogP
2.81
Log S (ESOL)
-3.64
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.51
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.7
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)
-1.85

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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