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CAS 886851-42-9 6-(2-FURYL)NICOTINALDEHYDE molecular structure lightbox
CAS RN: 886851-42-9

6-(2-FURYL)NICOTINALDEHYDE

  • Product code: SSC-200167
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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: 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 886851-42-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

886851-42-9 / 6-(furan-2-yl)pyridine-3-carbaldehyde

Standard CAS: 886851-42-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
886851-42-9
Multi CAS
No
Molecular Formula
C10H7NO2
Molecular Weight
173.170000
Exact Mass
173.047678
InChI
InChI=1S/C10H7NO2/c12-7-8-3-4-9(11-6-8)10-2-1-5-13-10/h1-7H
InChIKey
RHHAYCIYWCFECO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
47.33
TPSA
43.1

LogP / Solubility

WLOGP
2.15
MLOGP
1.89
XLogP3
1.1
Consensus LogP
1.71
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.81
Class (SILICOS-IT)
Moderately 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)
-2.25

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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