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CAS 944906-83-6 2,3-dimethoxyisonicotinic acid molecular structure lightbox
CAS RN: 944906-83-6

2,3-dimethoxyisonicotinic acid

  • Product code: SSC-209527
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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 944906-83-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

944906-83-6 / 2,3-dimethoxypyridine-4-carboxylic acid

Standard CAS: 944906-83-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
944906-83-6
Multi CAS
No
Molecular Formula
C8H9NO4
Molecular Weight
183.160000
Exact Mass
183.053158
InChI
InChI=1S/C8H9NO4/c1-12-6-5(8(10)11)3-4-9-7(6)13-2/h3-4H,1-2H3,(H,10,11)
InChIKey
RIEXKKJOCNETIL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
44.3
TPSA
68.65

LogP / Solubility

WLOGP
0.8
MLOGP
0.7
XLogP3
0.7
Consensus LogP
0.73
Log S (ESOL)
-1.62
Class (ESOL)
Soluble
Log S (Ali)
-1.64
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.87
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)
-3.27

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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