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CAS 1276024-93-1 4-(1-Methyl-piperidin-4-yl)-benzaldehyde molecular structure lightbox
CAS RN: 1276024-93-1

4-(1-Methyl-piperidin-4-yl)-benzaldehyde

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250717 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1276024-93-1
  • Purity/Analytical Methods: >99.0%
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1276024-93-1 / 4-(1-methylpiperidin-4-yl)benzaldehyde

Standard CAS: 1276024-93-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1276024-93-1
Multi CAS
No
Molecular Formula
C13H17NO
Molecular Weight
203.280000
Exact Mass
203.131014
SMILES
CN1CCC(CC1)C2=CC=C(C=C2)C=O
InChI
InChI=1S/C13H17NO/c1-14-8-6-13(7-9-14)12-4-2-11(10-15)3-5-12/h2-5,10,13H,6-9H2,1H3
InChIKey
PFVXJXKRYVIDLJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
61.3
TPSA
20.31

LogP / Solubility

WLOGP
2.31
MLOGP
2.03
XLogP3
2
Consensus LogP
2.11
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.14
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)
-2.32

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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