CAS RN: 1823924-76-0
2-((5-hydroxypyridin-2-yl)oxy)propanoic acid, 97%(HPLC)
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.20260122 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINH927193
1823924-76-0 / 2-[(5-hydroxy-2-pyridinyl)oxy]propanoic acid
Basic Information
CAS
1823924-76-0
Multi CAS
No
Molecular Formula
C8H9NO4
Molecular Weight
183.160000
Exact Mass
183.053158
SMILES
CC(C(=O)O)OC1=NC=C(C=C1)O
InChI
InChI=1S/C8H9NO4/c1-5(8(11)12)13-7-3-2-6(10)4-9-7/h2-5,10H,1H3,(H,11,12)
InChIKey
KXXHDEWPRURCFL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
43.63
TPSA
79.65
LogP / Solubility
WLOGP
0.64
MLOGP
0.56
XLogP3
0.8
Consensus LogP
0.67
Log S (ESOL)
-1.52
Class (ESOL)
Soluble
Log S (Ali)
-1.52
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.74
Class (SILICOS-IT)
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)
-3.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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