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CAS 90222-65-4 2-Hydroxy-6-methoxy-isonicotinic acid methyl ester molecular structure lightbox
CAS RN: 90222-65-4

2-Hydroxy-6-methoxy-isonicotinic acid methyl ester

  • Product code: SSC-202702
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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 90222-65-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

90222-65-4 / methyl 2-methoxy-6-oxo-1H-pyridine-4-carboxylate

Standard CAS: 90222-65-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
90222-65-4
Multi CAS
No
Molecular Formula
C8H9NO4
Molecular Weight
183.160000
Exact Mass
183.053158
InChI
InChI=1S/C8H9NO4/c1-12-7-4-5(8(11)13-2)3-6(10)9-7/h3-4H,1-2H3,(H,9,10)
InChIKey
AYQLUOOKENFGNL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
44.95
TPSA
68.39

LogP / Solubility

WLOGP
0.17
MLOGP
0.15
Consensus LogP
0.11
Log S (ESOL)
-1.29
Class (ESOL)
Soluble
Log S (Ali)
-1.18
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.23
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)
-3.72

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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