![CAS 763109-45-1 5-(2,3-DIHYDROBENZO[B][1,4]DIOXIN-7-YL)ISOXAZOLE-3-CARBOHYDRAZIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/763109-45-1.gif)
CAS RN: 763109-45-1
5-(2,3-DIHYDROBENZO[B][1,4]DIOXIN-7-YL)ISOXAZOLE-3-CARBOHYDRAZIDE
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.20250701 | 50mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS763109-45-1
- Purity/Analytical Methods: >99.0%
763109-45-1 / 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carbohydrazide
Basic Information
CAS
763109-45-1
Multi CAS
No
Molecular Formula
C12H11N3O4
Molecular Weight
261.230000
Exact Mass
261.074956
InChI
InChI=1S/C12H11N3O4/c13-14-12(16)8-6-10(19-15-8)7-1-2-9-11(5-7)18-4-3-17-9/h1-2,5-6H,3-4,13H2,(H,14,16)
InChIKey
CXPJAJOMIBONBP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
11
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
2
Molar refractivity
64.58
TPSA
99.61
LogP / Solubility
WLOGP
0.72
MLOGP
0.64
XLogP3
0.6
Consensus LogP
0.65
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.22
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.19
Class (SILICOS-IT)
Moderately 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)
-3.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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![CAS 763109-72-4 5-(2,3-DIHYDROBENZO[B][1,4]DIOXIN-7-YL)ISOXAZOLE-3-CARBOXYLIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/763109-72-4.gif)
