CAS RN: 142890-84-4
4(1H)-Pyridinone,3-(hydroxymethyl)-(9CI)
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260106 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS142890-84-4
- Purity/Analytical Methods: >99.0%
142890-84-4 / 3-(hydroxymethyl)-1H-pyridin-4-one
Basic Information
CAS
142890-84-4
Multi CAS
No
Molecular Formula
C6H7NO2
Molecular Weight
125.130000
Exact Mass
125.047678
SMILES
C1=CNC=C(C1=O)CO
InChI
InChI=1S/C6H7NO2/c8-4-5-3-7-2-1-6(5)9/h1-3,8H,4H2,(H,7,9)
InChIKey
MMWFAKVYNKBBRE-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
-0.2
Consensus LogP
-0.15
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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![CAS 142896-12-6 Ethanone, 1-[2-(1-methylethenyl)-4-pyridinyl]- (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/142896-12-6.gif)
