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CAS 5466-62-6 4,6-Dihydroxynicotinic acid molecular structure lightbox
CAS RN: 5466-62-6

4,6-Dihydroxynicotinic acid

  • Product code: SSC-162437
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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: ＞97%
  • 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 5466-62-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

5466-62-6 / 4-hydroxy-6-oxo-1H-pyridine-3-carboxylic acid

Standard CAS: 5466-62-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5466-62-6
Multi CAS
Yes
Molecular Formula
C6H5NO4
Molecular Weight
155.110000
Exact Mass
155.021858
InChI
InChI=1S/C6H5NO4/c8-4-1-5(9)7-2-3(4)6(10)11/h1-2H,(H,10,11)(H2,7,8,9)
InChIKey
QJLHSJRQOWSNMD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
35.69
TPSA
90.39

LogP / Solubility

WLOGP
-0.22
MLOGP
-0.2
XLogP3
-0.6
Consensus LogP
-0.34
Log S (ESOL)
-1
Class (ESOL)
Very soluble
Log S (Ali)
-0.67
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.6
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.82

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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