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CAS 1234914-99-8 1-(2-methoxyethyl)-6-oxo-1,6-dihydropyridine-3-carboxylic acid molecular structure lightbox
CAS RN: 1234914-99-8

1-(2-methoxyethyl)-6-oxo-1,6-dihydropyridine-3-carboxylic acid

  • Product code: SSC-027219
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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 1234914-99-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Beijing Inquiry

1234914-99-8 / 1-(2-methoxyethyl)-6-oxopyridine-3-carboxylic acid

Standard CAS: 1234914-99-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1234914-99-8
Multi CAS
No
Molecular Formula
C9H11NO4
Molecular Weight
197.190000
Exact Mass
197.068808
SMILES
COCCN1C=C(C=CC1=O)C(=O)O
InChI
InChI=1S/C9H11NO4/c1-14-5-4-10-6-7(9(12)13)2-3-8(10)11/h2-3,6H,4-5H2,1H3,(H,12,13)
InChIKey
RUGPECRKGZFPPY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
49.54
TPSA
68.53

LogP / Solubility

WLOGP
0.19
MLOGP
0.17
XLogP3
-0.5
Consensus LogP
-0.05
Log S (ESOL)
-1.24
Class (ESOL)
Soluble
Log S (Ali)
-1.32
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.58
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)
-3.79

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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