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CAS 2475-93-6 Pinacolin Oxime molecular structure lightbox
CAS RN: 2475-93-6

Pinacolin Oxime

  • Product code: SSC-119809
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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 2475-93-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

2475-93-6 / N-(3,3-dimethylbutan-2-ylidene)hydroxylamine

Standard CAS: 2475-93-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2475-93-6
Multi CAS
No
Molecular Formula
C6H13NO
Molecular Weight
115.170000
Exact Mass
115.099714
SMILES
CC(=NO)C(C)(C)C
InChI
InChI=1S/C6H13NO/c1-5(7-8)6(2,3)4/h8H,1-4H3
InChIKey
UNSDDJQNHCSVSW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
34.35
TPSA
32.59

LogP / Solubility

WLOGP
1.88
MLOGP
1.65
XLogP3
1.6
Consensus LogP
1.71
Log S (ESOL)
-1.74
Class (ESOL)
Soluble
Log S (Ali)
-1.86
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.97
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)
-2.09

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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