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CAS 94170-15-7 1-Methylthyl-2-oxo-1,2-dihydropyridine-4-carboxaldehyde molecular structure lightbox
CAS RN: 94170-15-7

1-Methylthyl-2-oxo-1,2-dihydropyridine-4-carboxaldehyde

  • Product code: SSC-208735
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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 94170-15-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

94170-15-7 / 1-methyl-2-oxopyridine-4-carbaldehyde

Standard CAS: 94170-15-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
94170-15-7
Multi CAS
Yes
Molecular Formula
C7H7NO2
Molecular Weight
137.140000
Exact Mass
137.047678
InChI
InChI=1S/C7H7NO2/c1-8-3-2-6(5-9)4-7(8)10/h2-5H,1H3
InChIKey
UYQGRCCIACNIES-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
37.07
TPSA
39.07

LogP / Solubility

WLOGP
0.2
MLOGP
0.17
XLogP3
-0.4
Consensus LogP
-0.01
Log S (ESOL)
-1.19
Class (ESOL)
Soluble
Log S (Ali)
-0.83
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.84
Class (SILICOS-IT)
Very 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)
-3.42

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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