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CAS 26156-51-4 METHYL 2-METHOXYISONICOTINATE 97%METHYL 2-METHOXYPYRIDINE-4-CARBOXYLATE molecular structure lightbox
CAS RN: 26156-51-4

METHYL 2-METHOXYISONICOTINATE 97%METHYL 2-METHOXYPYRIDINE-4-CARBOXYLATE

  • Product code: SSC-123126
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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: ＞97%
  • 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 26156-51-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

26156-51-4 / methyl 2-methoxypyridine-4-carboxylate

Standard CAS: 26156-51-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
26156-51-4
Multi CAS
No
Molecular Formula
C8H9NO3
Molecular Weight
167.160000
Exact Mass
167.058243
SMILES
COC1=NC=CC(=C1)C(=O)OC
InChI
InChI=1S/C8H9NO3/c1-11-7-5-6(3-4-9-7)8(10)12-2/h3-5H,1-2H3
InChIKey
KVFSHVOCUQNUNV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
42.13
TPSA
48.42

LogP / Solubility

WLOGP
0.88
MLOGP
0.77
XLogP3
1.2
Consensus LogP
0.95
Log S (ESOL)
-1.67
Class (ESOL)
Soluble
Log S (Ali)
-1.56
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.71
Class (SILICOS-IT)
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)
-3.12

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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