CAS RN: 2087960-23-2
6-aminopyridin-3-ol acetate
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.20260430 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2087960-23-2
- Purity/Analytical Methods: >99.0%
2087960-23-2 / acetic acid;6-aminopyridin-3-ol
Basic Information
CAS
2087960-23-2
Multi CAS
No
Molecular Formula
C7H10N2O3
Molecular Weight
170.170000
Exact Mass
170.069142
SMILES
CC(=O)O.C1=CC(=NC=C1O)N
InChI
InChI=1S/C5H6N2O.C2H4O2/c6-5-2-1-4(8)3-7-5;1-2(3)4/h1-3,8H,(H2,6,7);1H3,(H,3,4)
InChIKey
ODCJFZNUESSNEZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
4
H-bond donors
3
Molar refractivity
43.62
TPSA
96.44
LogP / Solubility
WLOGP
0.46
MLOGP
0.4
XLogP3
0.46
Consensus LogP
0.44
Log S (ESOL)
-1.56
Class (ESOL)
Soluble
Log S (Ali)
-1.29
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.15
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)
-3.43
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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