CAS RN: 78213-03-3
6-HYDROXY-2-BENZOXAZOLINONE 97
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.20251026 | 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS78213-03-3
- Purity/Analytical Methods: >99.0%
78213-03-3 / 6-hydroxy-3H-1,3-benzoxazol-2-one
Basic Information
CAS
78213-03-3
Multi CAS
Yes
Molecular Formula
C7H5NO3
Molecular Weight
151.120000
Exact Mass
151.026943
InChI
InChI=1S/C7H5NO3/c9-4-1-2-5-6(3-4)11-7(10)8-5/h1-3,9H,(H,8,10)
InChIKey
XIYXDPMPFOQCFW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
3
H-bond donors
2
Molar refractivity
38.5
TPSA
66.23
LogP / Solubility
WLOGP
0.83
MLOGP
0.72
XLogP3
0.8
Consensus LogP
0.78
Log S (ESOL)
-1.9
Class (ESOL)
Soluble
Log S (Ali)
-1.4
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.33
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)
-3.05
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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