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CAS 338960-65-9 6-(4-METHYLPHENOXY)NICOTINALDEHYDE molecular structure lightbox
CAS RN: 338960-65-9

6-(4-METHYLPHENOXY)NICOTINALDEHYDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250506 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS338960-65-9
  • Purity/Analytical Methods: >99.0%
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338960-65-9 / 6-(4-methylphenoxy)pyridine-3-carbaldehyde

Standard CAS: 338960-65-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
338960-65-9
Multi CAS
No
Molecular Formula
C13H11NO2
Molecular Weight
213.230000
Exact Mass
213.078979
InChI
InChI=1S/C13H11NO2/c1-10-2-5-12(6-3-10)16-13-7-4-11(9-15)8-14-13/h2-9H,1H3
InChIKey
SISORSWVBWIJDU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
60.88
TPSA
39.19

LogP / Solubility

WLOGP
2.99
MLOGP
2.64
XLogP3
2.5
Consensus LogP
2.71
Log S (ESOL)
-3.41
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.89
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)
-1.89

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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