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CAS 17076-14-1 4-Ethoxypyridine-2-carboxylic acid molecular structure lightbox
CAS RN: 17076-14-1

4-Ethoxypyridine-2-carboxylic acid

  • Product code: SSC-075202
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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 17076-14-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shenzhen Inquiry

17076-14-1 / 4-ethoxypyridine-2-carboxylic acid

Standard CAS: 17076-14-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17076-14-1
Multi CAS
No
Molecular Formula
C8H9NO3
Molecular Weight
167.160000
Exact Mass
167.058243
SMILES
CCOC1=CC(=NC=C1)C(=O)O
InChI
InChI=1S/C8H9NO3/c1-2-12-6-3-4-9-7(5-6)8(10)11/h3-5H,2H2,1H3,(H,10,11)
InChIKey
VRSLLCKJVOTHEW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
42.37
TPSA
59.42

LogP / Solubility

WLOGP
1.18
MLOGP
1.03
XLogP3
1
Consensus LogP
1.07
Log S (ESOL)
-1.79
Class (ESOL)
Soluble
Log S (Ali)
-1.78
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.08
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)
-2.9

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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