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CAS 571920-77-9 3-METHOXY-4-PROPOXY-BENZALDEHYDE OXIME molecular structure lightbox
CAS RN: 571920-77-9

3-METHOXY-4-PROPOXY-BENZALDEHYDE OXIME

  • Product code: SSC-165289
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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
  • 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 571920-77-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

571920-77-9 / N-[(3-methoxy-4-propoxyphenyl)methylidene]hydroxylamine

Standard CAS: 571920-77-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
571920-77-9
Multi CAS
Yes
Molecular Formula
C11H15NO3
Molecular Weight
209.240000
Exact Mass
209.105193
InChI
InChI=1S/C11H15NO3/c1-3-6-15-10-5-4-9(8-12-13)7-11(10)14-2/h4-5,7-8,13H,3,6H2,1-2H3/b12-8+
InChIKey
DBOQZEDKACZVMY-XYOKQWHBSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
58.16
TPSA
51.05

LogP / Solubility

WLOGP
2.29
MLOGP
2.02
XLogP3
2.5
Consensus LogP
2.27
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.52
Class (SILICOS-IT)
Poorly 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)
-2.37

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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