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CAS 53052-06-5 OXAZOLO[4,5-B]PYRIDIN-2(3H)THIONE molecular structure lightbox
CAS RN: 53052-06-5

OXAZOLO[4,5-B]PYRIDIN-2(3H)THIONE

  • Product code: SSC-160232
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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 53052-06-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

53052-06-5 / 3H-[1,3]oxazolo[4,5-b]pyridine-2-thione

Standard CAS: 53052-06-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
53052-06-5
Multi CAS
Yes
Molecular Formula
C6H4N2OS
Molecular Weight
152.180000
Exact Mass
152.004434
InChI
InChI=1S/C6H4N2OS/c10-6-8-5-4(9-6)2-1-3-7-5/h1-3H,(H,7,8,10)
InChIKey
BRSZJWYJYOGBGK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
9
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.19
TPSA
41.82

LogP / Solubility

WLOGP
1.89
MLOGP
1.65
XLogP3
1
Consensus LogP
1.51
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.17
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.21
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)
-2.31

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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