CAS RN: 126940-15-6
1,2-Benzisoxazol-4-ol,3-amino-(9CI)
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260424 | 200mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS126940-15-6
- Purity/Analytical Methods: >99.0%
126940-15-6 / 3-amino-1,2-benzoxazol-4-ol
Basic Information
CAS
126940-15-6
Multi CAS
No
Molecular Formula
C7H6N2O2
Molecular Weight
150.130000
Exact Mass
150.042927
SMILES
C1=CC(=C2C(=C1)ON=C2N)O
InChI
InChI=1S/C7H6N2O2/c8-7-6-4(10)2-1-3-5(6)11-9-7/h1-3,10H,(H2,8,9)
InChIKey
YPPFUPCXFIIKQD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
4
H-bond donors
2
Molar refractivity
40.09
TPSA
72.28
LogP / Solubility
WLOGP
1.12
MLOGP
0.98
XLogP3
1.6
Consensus LogP
1.23
Log S (ESOL)
-2.08
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.6
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.56
Class (SILICOS-IT)
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)
-2.84
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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