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CAS 188038-42-8 4-(BENZYOXY)-2-CHLORO BENZALDOXIME molecular structure lightbox
CAS RN: 188038-42-8

4-(BENZYOXY)-2-CHLORO BENZALDOXIME

  • Product code: SSC-087455
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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 188038-42-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

188038-42-8 / N-hydroxy-4-phenylmethoxybenzenecarboximidoyl chloride

Standard CAS: 188038-42-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
188038-42-8
Multi CAS
No
Molecular Formula
C14H12ClNO2
Molecular Weight
261.700000
Exact Mass
261.055656
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=NO)Cl
InChI
InChI=1S/C14H12ClNO2/c15-14(16-17)12-6-8-13(9-7-12)18-10-11-4-2-1-3-5-11/h1-9,17H,10H2
InChIKey
BBOUEPLXKIQEPX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
71.39
TPSA
41.82

LogP / Solubility

WLOGP
3.64
MLOGP
3.21
XLogP3
4.2
Consensus LogP
3.68
Log S (ESOL)
-3.99
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.33
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.86
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.73

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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