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CAS 20175-97-7 7-Methoxy-1-tetralone Oxime molecular structure lightbox
CAS RN: 20175-97-7

7-Methoxy-1-tetralone Oxime

  • Product code: SSC-095098
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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 20175-97-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

20175-97-7 / (NE)-N-(7-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine

Standard CAS: 20175-97-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20175-97-7
Multi CAS
No
Molecular Formula
C11H13NO2
Molecular Weight
191.230000
Exact Mass
191.094629
SMILES
COC1=CC\2=C(CCC/C2=N\O)C=C1
InChI
InChI=1S/C11H13NO2/c1-14-9-6-5-8-3-2-4-11(12-13)10(8)7-9/h5-7,13H,2-4H2,1H3/b12-11+
InChIKey
HRTUAOKEKZVEPG-VAWYXSNFSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
54.26
TPSA
41.82

LogP / Solubility

WLOGP
2.21
MLOGP
1.94
XLogP3
2.3
Consensus LogP
2.15
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.72
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.86
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)
-2.32

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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