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CAS 19872-93-6 Dimethyl 4-methoxy-2,6-Pyridinedicarboxylate molecular structure lightbox
CAS RN: 19872-93-6

Dimethyl 4-methoxy-2,6-Pyridinedicarboxylate

  • Product code: SSC-093615
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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 19872-93-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

19872-93-6 / dimethyl 4-methoxypyridine-2,6-dicarboxylate

Standard CAS: 19872-93-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19872-93-6
Multi CAS
No
Molecular Formula
C10H11NO5
Molecular Weight
225.200000
Exact Mass
225.063722
SMILES
COC1=CC(=NC(=C1)C(=O)OC)C(=O)OC
InChI
InChI=1S/C10H11NO5/c1-14-6-4-7(9(12)15-2)11-8(5-6)10(13)16-3/h4-5H,1-3H3
InChIKey
NFIRNYBABWFVNL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
6
Molar refractivity
53.47
TPSA
74.72

LogP / Solubility

WLOGP
0.66
MLOGP
0.59
XLogP3
1.2
Consensus LogP
0.82
Log S (ESOL)
-1.73
Class (ESOL)
Soluble
Log S (Ali)
-1.89
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.03
Class (SILICOS-IT)
Moderately 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)
-3.62

Drug-likeness / Medicinal Chemistry

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

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