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
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
103792-82-1 / 3-amino-4-hydroxy-1H-pyridin-2-one
3-Aminopyridine-2,4-diol | 3-amino-4-hydroxypyridin-2(1H)-one | 2(1H)-Pyridinone,3-amino-4-hydroxy-(9CI)
Basic Information
CAS
103792-82-1
Multi CAS
No
Molecular Formula
C5H6N2O2
Molecular Weight
126.110000
Exact Mass
126.042927
SMILES
C1=CNC(=O)C(=C1O)N
InChI
InChI=1S/C5H6N2O2/c6-4-3(8)1-2-7-5(4)9/h1-2H,6H2,(H2,7,8,9)
InChIKey
KZLLDQBKULOWMT-UHFFFAOYSA-N
Synonyms
3-Aminopyridine-2,4-diol
3-amino-4-hydroxypyridin-2(1H)-one
2(1H)-Pyridinone,3-amino-4-hydroxy-(9CI)
MFCD09991480
3-amino-2-hydroxy-1H-pyridin-4-one
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
3
H-bond donors
3
Molar refractivity
33.14
TPSA
79.11
LogP / Solubility
WLOGP
-0.34
MLOGP
-0.31
XLogP3
-0.9
Consensus LogP
-0.52
Log S (ESOL)
-0.9
Class (ESOL)
Very soluble
Log S (Ali)
-0.35
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.2
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)
-3.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
.gif)