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CAS 1131-33-5 2-Phenylpyridine 1-Oxide molecular structure lightbox
CAS RN: 1131-33-5

2-Phenylpyridine 1-Oxide

Product Availability

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250606 1g In stock Inquiry
Batchno.20260517 250mg In stock Inquiry
  • Product code: SSC-013277
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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 1131-33-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

1131-33-5 / 1-oxido-2-phenylpyridin-1-ium

2-phenylpyridine 1-oxide | RefChem:478227 | 878-888-1

Standard CAS: 1131-33-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1131-33-5
Multi CAS
No
Molecular Formula
C11H9NO
Molecular Weight
171.190000
Exact Mass
171.068414
SMILES
C1=CC=C(C=C1)C2=CC=CC=[N+]2[O-]
InChI
InChI=1S/C11H9NO/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H
InChIKey
MZBZERKDGUOLBE-UHFFFAOYSA-N
Synonyms
2-phenylpyridine 1-oxide RefChem:478227 878-888-1 2-Phenylpyridine N-oxide 2-phenylpyridin-1-ium-1-olate

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
50.84
TPSA
26.94

LogP / Solubility

WLOGP
1.99
MLOGP
1.75
XLogP3
1.5
Consensus LogP
1.75
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.4
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.54
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)
-2.35

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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