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CAS 63056-20-2 6-PHENYLNICOTINALDEHYDE molecular structure lightbox
CAS RN: 63056-20-2

6-PHENYLNICOTINALDEHYDE

Product Availability

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260314 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260612 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS63056-20-2
  • Purity/Analytical Methods: >99.0%
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63056-20-2 / 6-phenylpyridine-3-carbaldehyde

Standard CAS: 63056-20-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
63056-20-2
Multi CAS
No
Molecular Formula
C12H9NO
Molecular Weight
183.210000
Exact Mass
183.068414
InChI
InChI=1S/C12H9NO/c14-9-10-6-7-12(13-8-10)11-4-2-1-3-5-11/h1-9H
InChIKey
HWDMDOSKSDLXEH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
55.06
TPSA
29.96

LogP / Solubility

WLOGP
2.56
MLOGP
2.25
XLogP3
2
Consensus LogP
2.27
Log S (ESOL)
-3.09
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.91
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.22
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)
-2.02

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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