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CAS 118001-73-3 4-(PYRIDIN-4-YLMETHOXY)BENZALDEHYDE molecular structure lightbox
CAS RN: 118001-73-3

4-(PYRIDIN-4-YLMETHOXY)BENZALDEHYDE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250526 100mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-017885
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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: 0.1g
  • 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 118001-73-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry

118001-73-3 / 4-(pyridin-4-ylmethoxy)benzaldehyde

4-(pyridin-4-ylmethoxy)benzaldehyde | 4-[(Pyridin-4-yl)methoxy]benzaldehyde | MFCD08444878

Standard CAS: 118001-73-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
118001-73-3
Multi CAS
No
Molecular Formula
C13H11NO2
Molecular Weight
213.230000
Exact Mass
213.078979
SMILES
C1=CC(=CC=C1C=O)OCC2=CC=NC=C2
InChI
InChI=1S/C13H11NO2/c15-9-11-1-3-13(4-2-11)16-10-12-5-7-14-8-6-12/h1-9H,10H2
InChIKey
NJWQYDUYMAMRAT-UHFFFAOYSA-N
Synonyms
4-(pyridin-4-ylmethoxy)benzaldehyde 4-[(Pyridin-4-yl)methoxy]benzaldehyde MFCD08444878 4-(4-pyridylmethoxy)benzaldehyde SCHEMBL432927

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
60.4
TPSA
39.19

LogP / Solubility

WLOGP
2.47
MLOGP
2.18
XLogP3
1.8
Consensus LogP
2.15
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.09
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.58
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.26

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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