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CAS 933030-89-8 2-(Hydroxymethyl)pyridin-4(1H)-one molecular structure lightbox
CAS RN: 933030-89-8

2-(Hydroxymethyl)pyridin-4(1H)-one

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260207 5g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS933030-89-8
  • Purity/Analytical Methods: >99.0%
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933030-89-8 / 2-(hydroxymethyl)-1H-pyridin-4-one

Standard CAS: 933030-89-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
933030-89-8
Multi CAS
Yes
Molecular Formula
C6H7NO2
Molecular Weight
125.130000
Exact Mass
125.047678
InChI
InChI=1S/C6H7NO2/c8-4-5-3-6(9)1-2-7-5/h1-3,8H,4H2,(H,7,9)
InChIKey
KRLRNVJRPOTLJX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
32.99
TPSA
53.09

LogP / Solubility

WLOGP
-0.13
MLOGP
-0.13
XLogP3
-0.7
Consensus LogP
-0.32
Log S (ESOL)
-0.96
Class (ESOL)
Very soluble
Log S (Ali)
-0.49
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.48
Class (SILICOS-IT)
Very 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)
-3.58

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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