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CAS 87626-41-3 4-(PYRIDIN-3-YLOXY)BENZALDEHYDE molecular structure lightbox
CAS RN: 87626-41-3

4-(PYRIDIN-3-YLOXY)BENZALDEHYDE

  • Product code: SSC-197785
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 5g, 10g, 25g, 1g, 0.1g, 0.25g
  • Available purity: >95%
  • Inventory rows with stock: 6
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 87626-41-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >95% 5 In Stock Beijing Inquiry
10g >95% 5 In Stock Shanghai Inquiry
25g >95% 5 In Stock Hong Kong Inquiry
1g >95% 4 In Stock Hong Kong Inquiry
0.1g >95% 3 In Stock Shanghai Inquiry
0.25g >95% 2 In Stock Hong Kong Inquiry

87626-41-3 / 4-pyridin-3-yloxybenzaldehyde

Standard CAS: 87626-41-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
87626-41-3
Multi CAS
No
Molecular Formula
C12H9NO2
Molecular Weight
199.200000
Exact Mass
199.063329
InChI
InChI=1S/C12H9NO2/c14-9-10-3-5-11(6-4-10)15-12-2-1-7-13-8-12/h1-9H
InChIKey
VNZCKMVWWJJZIL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
56.14
TPSA
39.19

LogP / Solubility

WLOGP
2.69
MLOGP
2.36
XLogP3
1.8
Consensus LogP
2.28
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.13
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.54
Class (SILICOS-IT)
Poorly 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)
-2.03

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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