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CAS 1368758-49-9 6-Bromooxazolo[5,4-b]pyridin-2(1H)-one molecular structure lightbox
CAS RN: 1368758-49-9

6-Bromooxazolo[5,4-b]pyridin-2(1H)-one

  • Product code: SSC-046136
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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: 0.25g, 1g, 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 1368758-49-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

1368758-49-9 / 6-bromo-1H-[1,3]oxazolo[5,4-b]pyridin-2-one

Standard CAS: 1368758-49-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1368758-49-9
Multi CAS
No
Molecular Formula
C6H3BrN2O2
Molecular Weight
215.000000
Exact Mass
213.937790
SMILES
C1=C(C=NC2=C1NC(=O)O2)Br
InChI
InChI=1S/C6H3BrN2O2/c7-3-1-4-5(8-2-3)11-6(10)9-4/h1-2H,(H,9,10)
InChIKey
MGORSXZICLHSPX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
3
H-bond donors
1
Molar refractivity
42.33
TPSA
58.89

LogP / Solubility

WLOGP
1.28
MLOGP
1.13
XLogP3
1.1
Consensus LogP
1.17
Log S (ESOL)
-2.58
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.12
Class (SILICOS-IT)
Moderately 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)
-3.12

Drug-likeness / Medicinal Chemistry

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

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