![CAS 57764-50-8 ETHYL 6-HYDROXYBENZO[D]ISOXAZOLE-3-CARBOXYLATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/57764-50-8.gif)
CAS RN: 57764-50-8
ETHYL 6-HYDROXYBENZO[D]ISOXAZOLE-3-CARBOXYLATE
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.20260318 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS57764-50-8
- Purity/Analytical Methods: >99.0%
57764-50-8 / ethyl 6-hydroxy-1,2-benzoxazole-3-carboxylate
Basic Information
CAS
57764-50-8
Multi CAS
No
Molecular Formula
C10H9NO4
Molecular Weight
207.180000
Exact Mass
207.053158
InChI
InChI=1S/C10H9NO4/c1-2-14-10(13)9-7-4-3-6(12)5-8(7)15-11-9/h3-5,12H,2H2,1H3
InChIKey
CZGDDLABXCFMQI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
51.63
TPSA
72.56
LogP / Solubility
WLOGP
1.71
MLOGP
1.51
XLogP3
1.9
Consensus LogP
1.71
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.49
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.67
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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