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CAS 5466-41-1 4,6-DihydroxynicotinaMide molecular structure lightbox
CAS RN: 5466-41-1

4,6-DihydroxynicotinaMide

  • Product code: SSC-162435
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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: 5g
  • 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 5466-41-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

5466-41-1 / 4-hydroxy-6-oxo-1H-pyridine-3-carboxamide

Standard CAS: 5466-41-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5466-41-1
Multi CAS
Yes
Molecular Formula
C6H6N2O3
Molecular Weight
154.120000
Exact Mass
154.037842
InChI
InChI=1S/C6H6N2O3/c7-6(11)3-2-8-5(10)1-4(3)9/h1-2H,(H2,7,11)(H2,8,9,10)
InChIKey
ORASOOKDQIQMDZ-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
37.25
TPSA
96.18

LogP / Solubility

WLOGP
-0.82
MLOGP
-0.73
XLogP3
-1.3
Consensus LogP
-0.95
Log S (ESOL)
-0.62
Class (ESOL)
Very soluble
Log S (Ali)
-0.23
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.1
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.24

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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